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With the intensification of climate change, species migration or extinction events may occur on a wide scale. Leonurus japonicus Houtt. is an important medicinal species distributed globally. However, the potential effect of climate change on its distribution is not known. In this study, we developed a MaxEnt model for the global distribution of L. japonicus and identified locations of ecological suitability. From this we predicted future distribution changes under four different climate change scenarios. Furthermore, we assessed the medicinal value of L. japonicus in different locations according to the expression of chemical markers, then employed transcriptomics to explore genes associated with its ecological suitability and medicinal value. Our findings indicated that the primary environmental factors influencing its distribution include the precipitation of warmest quarter, the mean temperature of coldest quarter, and AWC range. L. japonicus is primarily distributed in Southeast Asia, Europe, South America, and the Gulf of Mexico. Future projections show an expanding distribution trend with migration towards higher latitudes. Highly and moderately suitable areas were more favorable for cultivating medicinal L. japonicus. We identified 103 transcription factors associated with its ecological suitability and 22 genes linked to its medicinal value. In summary, this study provides valuable guidance for the cultivation of L. japonicus under the changing climate. Additionally, it offers new insights into the accumulation patterns of medicinal components. [Display omitted] • Established global SDM for L. japonicus , both current and future. • Understanding the significance of ecological traits in evaluating medicinal worth. • Climate change will broaden L. japonicus distribution, shifting it northward. • Moderately and highly suitable areas favor L. japonicus growth. • Analyzing the molecular mechanisms behind ecological traits. [ABSTRACT FROM AUTHOR]