SCHEMBL56334

SCHEMBL56334

O=[C]c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
GRM5 P41594 1/20 0.47
BCL2L1 Q07817 1/20 0.47
CA2 P00918 3/20 0.46
ALOX5 P09917 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
CA9 Q16790 4/20 0.43

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
SCHEMBL6006529 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL3771142 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL12884269 0.78 GRM5 (0.60) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL3946050 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL29529198 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL6002655 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL120641 0.78 GRM5 (0.47) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL12884270 0.77 GRM5 (0.58) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL12884267 0.75 GRM5 (0.57) CYP2A6GRM5BCL2L1CA2ALOX5
SCHEMBL2232499 0.74 CA9 (0.51) CYP2A6BCL2L1CA2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
CN-111689989-B Containing SO2Polyheterocyclic compounds and uses thereof 北京燕化集联光电技术有限公司 2021-11-02 CN claimed
CN-111662298-B Compound containing multiple heterocyclic rings and application thereof in organic electroluminescent device 北京燕化集联光电技术有限公司 2021-08-10 CN claimed
CN-110669107-A Antibacterial peptide and preparation method thereof 上海医药工业研究院 2020-01-10 CN claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US claimed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP claimed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US claimed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0732332-B1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation AVENTIS PHARMA INC (US) 2001-12-19 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
US-5801176-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. 1998-09-01 US claimed
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US claimed
EP-0732332-A1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation HOECHST MARION ROUSSEL, INC. (US) 1996-09-18 EP 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 (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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD CYP2A6 4500/4885GRM5 3288/4885BCL2L1 1256/4885
US-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CYP2A6 1606/4885GRM5 2134/4885BCL2L1 939/4885

“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.