SCHEMBL25043899

SCHEMBL25043899

COC(=O)c1cnnn1-c1ccc(C(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14788583 0.81 TP53 (0.41) TSHRALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19669151 0.81 TP53 (0.52) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5904833 0.81 CFTR (0.43) TSHRNPBWR1MCHR1ALDH1A1MAPK1
SCHEMBL25412237 0.72 MAPK1 (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2CYP1A2
SCHEMBL25044718 0.71 L3MBTL1 (0.54) ALDH1A1HTTSMN1; SMN2IDO1TDO2
SCHEMBL23608677 0.70 OPRK1 (0.39)
SCHEMBL25043902 0.69 HSD11B1 (0.38) TSHRALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL31125228 0.69 ALDH1A1 (0.48) TSHRALDH1A1HPGDHTTMAPK1
SCHEMBL472487 0.68 CA1 (0.57) TSHRALDH1A1HTTMAPK1KDM4E
SCHEMBL5646683 0.68 HSD11B1 (0.55) TP53MAPTLMNAHSD11B1

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 5 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
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN 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 TSHR 838/4885NPBWR1 1083/4885MCHR1 1458/4885

“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.