SCHEMBL25045504

SCHEMBL25045504

O=Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
KCNH2 Q12809 1/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30237342 1.00 GABRG2 (0.32) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL25045285 0.87 RXRA (0.33) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL25044714 0.87 GABRG2 (0.30) GABRG2GABRB3GABRA5KCNH2
SCHEMBL28974764 0.87 GABRG2 (0.30) GABRG2GABRB3GABRA5KCNH2
SCHEMBL30283014 0.87 GABRG2 (0.30) GABRG2GABRB3GABRA5KCNH2
SCHEMBL25045392 0.85 RXRA (0.33) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL30283165 0.85 RXRA (0.33) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL21623964 0.84 GABRA5 (0.43) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL30282856 0.84 GABRA5 (0.43) GABRG2GABRB3GABRA5KCNH2RXRA
SCHEMBL25044720 0.82 HTT (0.36) GABRG2GABRB3GABRA5KCNH2RXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 US disclosed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 GABRG2 26/4885GABRB3 13/4885GABRA5 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.