SCHEMBL158705

SCHEMBL158705

c1cncc(-c2cccs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 1.00
CYP3A4 P08684 5/20 1.00
CYP2C9 P11712 4/20 1.00
CYP2B6 P20813 4/20 1.00
CYP2E1 P05181 3/20 1.00
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 4/20 0.67
HPGD P15428 4/20 0.67
RAB9A P51151 2/20 0.67
MAPK1 P28482 1/20 0.65
CYP1A2 P05177 1/20 0.58
FYN P06241 1/20 0.55
DYRK1A Q13627 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP17A1 P05093 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52

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
SCHEMBL29590048 1.00 CYP2A6 (1.00) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL19219088 0.92 CYP2A6 (0.85) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL9192615 0.87 CYP2A6 (0.76) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL28373020 0.86 CYP2A6 (0.74) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
Pyridine SCHEMBL30984530 0.83 CYP3A4 (0.70) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL28511535 0.82 CYP2A6 (0.69) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL23004809 0.82 CYP2E1 (0.69) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL9058679 0.81 RAB9A (1.00) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL1357023 0.80 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL18789395 0.80 CYP3A4 (0.67) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN claimed
CN-106391122-A A synthetic method of a polypyrrole-functionalized cobalt complex composite material and applications of the material 渤海大学 2017-02-15 CN claimed
US-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-08-07 US claimed
CN-1733759-A Oligomerized thiofuran ligand and its complex with rare earth, and their preparation method UNIV SOUTH CHINA TECH (CN) 2006-02-15 CN claimed
WO-2005066162-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-07-21 WO claimed
CN-121800769-A Synthesis method of 2-aryl-5-alkyl-3-pyridylthiophene 广西大学 2026-04-07 CN disclosed
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
CN-111527094-B Compound, polymer compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2024-03-26 CN disclosed
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN disclosed
CN-117137909-A Application of indenopyrrole derivative in preparation of antitumor pharmaceutical composition 广西科技大学 2023-12-01 CN disclosed
CN-111212844-B Dimer compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2023-08-25 CN disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed
EP-0165753-B1 HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-11 EP disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 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 (2 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-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer CYP2A13, CYP2A6, CYP2B6 CYP2A6 2/4885CYP3A4 45/4885CYP2C9 44/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA CYP2A6 3817/4885CYP3A4 4446/4885CYP2C9 4255/4885

“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.