SCHEMBL200805

SCHEMBL200805

O=C(O)CC(=O)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.73
CYP3A4 P08684 3/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 3/20 0.73
PLOD3 O60568 2/20 0.73
PLOD1 Q02809 2/20 0.73
CYP2D6 P10635 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
CYP2C9 P11712 2/20 0.73
HIF1A Q16665 1/20 0.73
NAPRT Q6XQN6 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MPO P05164 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2A6 P11509 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 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
SCHEMBL10948430 0.88 PLOD2 (0.83) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL8053052 0.84 PLOD2 (1.00) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL29249309 0.83 KMT2A (0.62) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL17179998 0.83 PLOD2 (0.68) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL5163555 0.80 CYP3A4 (0.64) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL3108729 0.80 PLOD2 (0.64) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL10843960 0.80 NR4A2 (0.65) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL11366024 0.79 L3MBTL1 (0.61) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL29664616 0.78 PLOD2 (0.62) PLOD2CYP3A4CYP1A2CYP2C19PLOD3
SCHEMBL28972977 0.78 PLOD2 (0.62) PLOD2CYP3A4CYP1A2CYP2C19PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
CN-101993413-B Method for preparing 4-pyridine propyl alcohol SINOCHEM CORP 2012-12-12 CN disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001070726-A1 AMINOPHENYL PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed
EP-1136485-A1 Aminophenyl pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2001-09-26 EP disclosed
WO-2001046180-A2 NOVEL DERIVATIVES OF 3-IMINO-1,2-DITHIOLES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2001-06-28 WO disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed
EP-0346208-B1 4-Amino quinolines and naphthyridines, process for their preparation and their use as medicaments SANOFI ELF (FR) 1994-04-13 EP disclosed
EP-0346208-A1 4-Amino quinolines and naphthyridines, process for their preparation and their use as medicaments ELF SANOFI (FR) 1989-12-13 EP disclosed
US-4474599-A 1-(Pyridyl)-1H-1,2,3-triazole derivatives, and use as herbicidal agents THE DOW CHEMICAL COMPANY (US) 1984-10-02 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 (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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 PLOD2 2690/4885CYP3A4 410/4885CYP1A2 321/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET PLOD2 2380/4885CYP3A4 354/4885CYP1A2 361/4885

“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.