SCHEMBL31306149

SCHEMBL31306149

Cc1cc(Br)cc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
NQO2 P16083 1/20 0.35
MAPT P10636 2/20 0.30
RXFP1 Q9HBX9 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PPARG P37231 1/20 0.30
RAB9A P51151 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4070586 1.00 CYP2A6 (0.36) CYP2A6NQO2MAPTRXFP1KDM4E
SCHEMBL157640 0.78 SMN1; SMN2 (0.42) CYP2A6MAPTRXFP1KDM4ERAB9A
SCHEMBL806525 0.77 MEN1 (0.31) CYP2A6MAPTRAB9A
SCHEMBL18876014 0.76 LMNA (0.35)
SCHEMBL15910715 0.75 ALDH1A1 (0.38) CYP2A6MAPTKDM4ESMN1; SMN2POLB
SCHEMBL3644685 0.75 ALOX15 (0.38) MAPTRAB9ASMN1; SMN2POLB
SCHEMBL5559032 0.75 NSD1 (0.34) MAPTRXFP1KDM4EPPARGRAB9A
SCHEMBL19436052 0.75 LMNA (0.30) MAPTRXFP1KDM4EPPARGRAB9A
SCHEMBL6811339 0.75 PDPK1 (0.39) MAPTRXFP1KDM4EPPARGRAB9A
SCHEMBL18875997 0.73 POLB (0.39) POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326770-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-10-23 US disclosed
US-20250296939-A1 BENZOTHIOPHENE COMPOUND KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2025-09-25 US disclosed
US-20250282724-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-09-11 US disclosed
US-12378260-B2 Benzotriazole compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-08-05 US disclosed
US-20250092064-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-20 US disclosed
EP-4516792-A1 BENZOTHIOPHENE COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2025-03-05 EP disclosed
EP-4509504-A1 BENZOTRIAZOLE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-02-19 EP disclosed
CN-119173511-A Benzotriazole compounds 第一三共株式会社 2024-12-20 CN 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 (5 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-20250296939-A1 BENZOTHIOPHENE COMPOUND NFE2L2, KEAP1, BPTF CYP2A6 2779/4885NQO2 628/4885MAPT 379/4885
US-20250092064-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 CYP2A6 2815/4885NQO2 419/4885MAPT 245/4885
US-12378260-B2 Benzotriazole compound NFE2L2, BPTF, KEAP1 CYP2A6 2815/4885NQO2 419/4885MAPT 245/4885
US-20250326770-A1 BENZOTRIAZOLE COMPOUND KEAP1, NFE2L2, TXNRD2 CYP2A6 3112/4885NQO2 709/4885MAPT 169/4885
US-20250282724-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 CYP2A6 2815/4885NQO2 419/4885MAPT 245/4885

“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.