SCHEMBL87128

SCHEMBL87128

Cc1csc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
CYP2E1 P05181 1/20 0.65
CYP2A6 P11509 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2B6 P20813 1/20 0.65
SREBF2 Q12772 1/20 0.59
PDE10A Q9Y233 1/20 0.56
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 2/20 0.53
AR P10275 1/20 0.53
RAB9A P51151 5/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL14438067 0.96 CYP3A4 (0.61) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL8198560 0.89 CYP3A4 (0.60) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL7905176 0.86 CYP3A4 (0.58) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL27287019 0.86 CYP3A4 (0.54) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL4640173 0.84 SREBF2 (0.67) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13680751 0.84 HPGDS (0.61) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL12180534 0.83 RAB9A (0.59) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL266577 0.83 CYP2E1 (0.65) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL7912924 0.81 PTGS2 (0.56) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18725058 0.81 CYP3A4 (0.53) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730946-B 2-Phenyl-4-methylthiazole compound as well as preparation method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2024-11-12 CN claimed
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US claimed
CN-116730946-A 2-phenyl-4-methylthiazole compound as well as preparation method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2023-09-12 CN claimed
CN-108383828-A 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative 阿勒根公司 2018-08-10 CN claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed

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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 CYP3A4 1381/4885CYP2E1 255/4885CYP2A6 3367/4885
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 CYP3A4 3232/4885CYP2E1 3052/4885CYP2A6 3387/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 CYP3A4 4307/4885CYP2E1 4435/4885CYP2A6 3830/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 CYP3A4 1782/4885CYP2E1 1176/4885CYP2A6 1062/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 CYP3A4 3232/4885CYP2E1 3052/4885CYP2A6 3387/4885

“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.