SCHEMBL4644440

SCHEMBL4644440

COC(=O)c1cc(Br)cc2c1OCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CXCR2 P25025 1/20 0.39
CYP2A6 P11509 1/20 0.38
OPRK1 P41145 2/20 0.36
NR4A2 P43354 1/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTR3A P46098 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL31306041 1.00 MAPT (0.49) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL3944054 0.90 MAPT (0.41) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL3943384 0.85 MAPT (0.39) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL15808976 0.84 NPSR1 (0.44) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL12284064 0.82 PARP1 (0.48) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL8364696 0.82 HTR3A (0.50) PARP1ALDH1A1KDM4ECYP2A6HTR3A
SCHEMBL1029688 0.81 MAPT (0.50) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL8337864 0.81 PARP1 (0.66) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL29555685 0.81 MAPT (0.50) MAPTNPSR1RXFP1PARP1ALDH1A1
SCHEMBL30015811 0.81 PARP1 (0.66) MAPTNPSR1RXFP1PARP1ALDH1A1

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 29 patents — showing the first 20. 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-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-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
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
WO-2023210741-A1 BENZOTRIAZOLE COMPOUND 第一三共株式会社 2023-11-02 WO disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1773792-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006015158-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
CN-1214008-C Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2005-08-10 CN disclosed
CN-1312800-A Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2001-09-12 CN disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 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 (6 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MAPT 2996/4885NPSR1 4472/4885RXFP1 4793/4885
US-20250092064-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 MAPT 245/4885NPSR1 4092/4885RXFP1 1802/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MAPT 2996/4885NPSR1 4472/4885RXFP1 4793/4885
US-12378260-B2 Benzotriazole compound NFE2L2, BPTF, KEAP1 MAPT 245/4885NPSR1 4092/4885RXFP1 1802/4885
US-20250326770-A1 BENZOTRIAZOLE COMPOUND KEAP1, NFE2L2, TXNRD2 MAPT 169/4885NPSR1 4474/4885RXFP1 2361/4885
US-20250282724-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 MAPT 245/4885NPSR1 4092/4885RXFP1 1802/4885

“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.