SCHEMBL178310

SCHEMBL178310

CCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
CETP P11597 5/20 0.53
DAO P14920 1/20 0.50
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 2/20 0.47
GRIN2B Q13224 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAOB P27338 1/20 0.46
CHRM5 P08912 1/20 0.46

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
Hydrochloric Acid SCHEMBL21272596 0.96 CHRM2 (0.52) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL13463063 0.90 MAOB (0.58) CHRM2CHRM1CHRM3CETPCARM1
SCHEMBL27528814 0.90 CHRM2 (0.51) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL18015806 0.89 CTSS (0.47) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL5537039 0.88 MAPK14 (0.51) CHRM2CHRM1CHRM3CETPGRIN2B
SCHEMBL2097391 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL13330969 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL2090888 0.87 CHRM2 (0.58) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL5009648 0.86 DAO (0.55) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL28963014 0.86 KDM4E (0.46) CHRM2CHRM1CHRM3CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed
WO-2023115149-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS CHRM2 776/4885CHRM1 812/4885CHRM3 1038/4885
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 CHRM2 4874/4885CHRM1 4878/4885CHRM3 4782/4885
US-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH CHRM2 348/4885CHRM1 180/4885CHRM3 186/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD CHRM2 2555/4885CHRM1 2206/4885CHRM3 1754/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC CHRM2 2596/4885CHRM1 2597/4885CHRM3 3536/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP CHRM2 4042/4885CHRM1 4432/4885CHRM3 4175/4885

“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.