SCHEMBL162877

SCHEMBL162877

O=C=Nc1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TRPA1 O75762 1/20 0.35
TSHR P16473 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
SCHEMBL30438482 1.00 CYP3A4 (0.40) CYP3A4ALDH1A1HPGDTDP1CES2
SCHEMBL6418213 0.86 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL15751295 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL707228 0.81 CYP3A4 (0.55) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL5266135 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL3550575 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL27480987 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1595410 0.80 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1CES2
SCHEMBL29662014 0.80 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1CES2
SCHEMBL27480988 0.79 CYP3A4 (0.35) CYP3A4ALDH1A1HPGDTDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609233-B2 Intermediate transfer member XEROX CORPORATION (US) 2013-12-17 US claimed
US-20120288788-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-11-15 US claimed
US-20120009371-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-01-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIV BARCELONA (ES) 2024-12-05 US disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
EP-4433453-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS Icagen, LLC (US) 2024-09-25 EP disclosed
US-20240293362-A1 Soluble Epoxide Hydrolase Inhibitors and Use Thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2024-09-05 US disclosed
WO-2023091554-A9 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS ICAGEN, LLC (US) 2024-05-23 WO disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
WO-2003086563-A2 DIABETES IMAGING PROBES CARBOMER, INC. (US) 2003-10-23 WO disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
CN-1444606-A Olefin polymerization catalyst DU PONT (US) 2003-09-24 CN disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
WO-2002024420-A1 METHOD FOR CHEMICAL TREATMENT OF A SURFACE ATELIER REGIONAL DE CONSERVATION ARC-NUCLEART (FR) 2002-03-28 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
CN-1019578-B The preparation method of quinoline carboxylic acid derivative KANEBO LTD (JP) 1992-12-23 CN disclosed
CN-88101987-A Quinoline carboxylic acid derivative and the antiseptic-germicide that contains them 1988-11-09 CN 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-20250074901-A1 NOVEL HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A43, F12 CYP3A4 18/4885ALDH1A1 2375/4885HPGD 3809/4885
US-20240293362-A1 Soluble Epoxide Hydrolase Inhibitors and Use Thereof EPHX1, EPHX2, NCEH1 CYP3A4 367/4885ALDH1A1 416/4885HPGD 88/4885
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 CYP3A4 95/4885ALDH1A1 81/4885HPGD 57/4885

“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.