SCHEMBL742273

SCHEMBL742273

NC(=O)c1cnccc1Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.65
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4C Q9H3R0 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP10 Q53GL7 1/20 0.46
PTGS1 P23219 3/20 0.44
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
BRD4 O60885 1/20 0.44
TSPO P30536 2/20 0.43
OPRK1 P41145 2/20 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
SCHEMBL944347 0.87 CTNNB1 (0.65) CTNNB1MAPK1ALDH1A1HSD17B10KDM4C
SCHEMBL2657045 0.87 KDM4C (0.56) CTNNB1MAPK1ALDH1A1HSD17B10KDM4C
SCHEMBL1326854 0.84 SIRT3 (0.54) CTNNB1ALDH1A1GPBAR1SIRT3TDP1
SCHEMBL3886702 0.82 MAPT (0.50) CTNNB1ALDH1A1GPBAR1SIRT3TDP1
Hydrochloric Acid SCHEMBL6831891 0.82 ALDH1A1 (0.48) CTNNB1ALDH1A1GPBAR1SIRT3TDP1
SCHEMBL4042446 0.81 TDP1 (0.55) CTNNB1MAPK1ALDH1A1HSD17B10KDM4C
SCHEMBL27569244 0.81 HTT (0.55) CTNNB1ALDH1A1GPBAR1SIRT3TDP1
SCHEMBL17397069 0.80 CTNNB1 (0.74) CTNNB1MAPK1ALDH1A1HSD17B10KDM4C
SCHEMBL10969028 0.80 ICAM1 (0.56) ALDH1A1ICAM1SELESMN1; SMN2KDM4E
SCHEMBL5755203 0.80 SIRT3 (0.42) CTNNB1MAPK1GPBAR1SIRT3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154634-B1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE UNIV LILLE (FR) 2021-02-24 EP disclosed
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2019-06-18 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
WO-2017134188-A1 NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-08-10 WO disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille (FR) 2017-07-06 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
EP-3154634-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-04-19 EP disclosed
WO-2017042380-A1 NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-03-16 WO disclosed
WO-2016149628-A1 TGR5 AGONISTS CHEMBRIDGE CORPORATION (US) 2016-09-22 WO disclosed
EP-1747276-A2 CAROTENOID BIOSYNTHESIS INHIBITOR RESISTANCE GENES AND METHODS OF USE IN PLANTS BASF Plant Science GmbH (DE) 2007-01-31 EP disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005111218-A2 CAROTENOID BIOSYNTHESIS INHIBITOR RESISTANCE GENES AND METHODS OF USE IN PLANTS BASF PLANT SCIENCE GMBH (DE) 2005-11-24 WO disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-6407111-B1 SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
US-5422247-A A grampositive or mutants of BLAKESLEA TRISPORA forming a mated culture product with gramnegative BLAKESLEA TRISPORA UNIVERSAL FOODS CORPORATION (US) 1995-06-06 US disclosed
US-5328845-A Fungal negative microorganism capable of producing high levels of beta-carotene UNIVERSAL FOODS CORPORATION (US) 1994-07-12 US disclosed
WO-1993020183-A1 METHOD FOR PRODUCING BETA-CAROTENE USING A FUNGAL MATED CULTURE UNIVERSAL FOODS CORPORATION (US) 1993-10-14 WO 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 (4 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-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE CYP3A43, CYP51A1, CYP3A7 CTNNB1 2473/4885MAPK1 947/4885ALDH1A1 436/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CTNNB1 4405/4885MAPK1 2507/4885ALDH1A1 2036/4885
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR CTNNB1 2018/4885MAPK1 4600/4885ALDH1A1 47/4885
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use CYP3A43, CYP51A1, CYP3A7 CTNNB1 2473/4885MAPK1 947/4885ALDH1A1 436/4885

“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.