SCHEMBL13578

SCHEMBL13578

CC(C)(C#N)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KIF11 P52732 1/20 0.34
RORC P51449 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
RECQL P46063 1/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
DHODH Q02127 1/20 0.31
CYP19A1 P11511 1/20 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
SCHEMBL6558332 0.94 KIF11 (0.44) CYP2A6ALDH1A1MAOAMAOBKIF11
SCHEMBL14059544 0.88 RORC (0.33) ALDH1A1RORCRECQLMAPK1MEN1
SCHEMBL6563317 0.87 KIF11 (0.41) ALDH1A1KIF11RORCESR1ESR2
SCHEMBL11044204 0.80 KIF11 (0.52) ALDH1A1KIF11RORCESR1ESR2
SCHEMBL307338 0.78 TSHR (0.52) CYP2A6ALDH1A1KIF11RORCESR1
SCHEMBL27915264 0.77 CA1 (0.35) CYP2A6ALDH1A1MAOAMAOBKIF11
SCHEMBL29452926 0.77 CYP2A6 (0.35) CYP2A6ALDH1A1MAOAMAOBKIF11
SCHEMBL23802020 0.76 CYP19A1 (0.41) CYP19A1UGT1A4PDE4D
SCHEMBL358617 0.76 MAPT (0.43) ALDH1A1KIF11RORCESR1ESR2
SCHEMBL11055 0.76 APP (0.36) KIF11RORCESR1ESR2SCN10A

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 323 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100526291-C Method for preparing alpha, alpha-dimethyl-4-bromobenzylcyanide SHANGHAI INST OF CHEMICAL REAG (CN) 2009-08-12 CN claimed
CN-100475780-C Production of alpha, alpha-dimethyl-4-brombenethane SHANGHAI CHEMICAL REAGENT RES (CN) 2009-04-08 CN claimed
CN-1778792-A Production of alpha, alpha-dimethyl-4-brombenethane SHANGHAI CHEMICAL REAGENTS INS (CN) 2006-05-31 CN claimed
CN-1626508-A Method for preparing alpha, alpha-dimethyl-4-bromobenzylcyanide SHANGHAI INST OF CHEMICAL REAG (CN) 2005-06-15 CN claimed
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
US-12577245-B2 Sulfonyl benzamide derivatives as Bcl-2 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2026-03-17 US disclosed
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists BAYER AKTIENGESELLSCHAFT (DE) 2025-08-26 US disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 WO disclosed
EP-0163551-B1 PHENOTHIAZINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-12 EP disclosed
US-4705854-A ANTIALLERGENS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1987-11-10 US disclosed
EP-0163551-A1 Phenothiazine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-12-04 EP 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 (3 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-12577245-B2 Sulfonyl benzamide derivatives as Bcl-2 inhibitors BCL2A1, BCL2L1, BCL2L11 CYP2A6 118/4885ALDH1A1 1756/4885MAOA 4104/4885
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists ADAMTS7, MMP7, ADAM17 CYP2A6 3551/4885ALDH1A1 3828/4885MAOA 1338/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA CYP2A6 485/4885ALDH1A1 1160/4885MAOA 4614/4885

“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.