SCHEMBL2476004

SCHEMBL2476004

Cc1ccc([CH]C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
DDAH1 O94760 1/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NLRP1 Q9C000 1/20 0.44

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
SCHEMBL3954268 0.80 CYP2A6 (0.50) CYP2A6MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1124327 0.79 MAPT (0.62) DDAH1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1124325 0.79 MAPT (0.62) DDAH1MAPTALDH1A1HPGDSMN1; SMN2
P-Xylene SCHEMBL28147896 0.78 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2PKMHTT
Acrylamide SCHEMBL28482844 0.78 ALDH1A1 (0.46) CYP2A6DDAH1GRIN2DGRIN3BGRIN1
SCHEMBL17583856 0.77 ALDH5A1 (0.52) CYP2A6ALDH1A1KMT2AKDM4ERAB9A
P-Xylene SCHEMBL4577184 0.77 ALDH1A1 (0.58) CYP2A6DDAH1MAPTALDH1A1HPGD
SCHEMBL4147484 0.77 ALDH5A1 (0.52) MAPTALDH1A1HPGDPKMLMNA
Benzene SCHEMBL28260361 0.76 MAPT (0.62) DDAH1MAPTALDH1A1HPGDSMN1; SMN2
P-Xylene SCHEMBL11562997 0.75 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US claimed
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US claimed
EP-2928860-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2015-10-14 EP claimed
EP-2907804-A1 Novel 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics Galderma Research & Development (FR) 2015-08-19 EP claimed
US-8993596-B2 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-03-31 US claimed
EP-2373620-B1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2015-03-18 EP claimed
WO-2015022437-A1 INDOLINONE DERIVATIVES AS GRK5 MODULATORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-02-19 WO claimed
US-20140371197-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-12-18 US claimed
US-20140187532-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-03 US claimed
WO-2014090731-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-06-19 WO claimed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
EP-0761654-A1 Isoxazole- and isothiazole-5-carboxamide derivatives, their preparation and their use as herbicides American Cyanamid Company (US) 1997-03-12 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 (8 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 CYP2A6 134/4885DDAH1 1601/4885GRIN2D 753/4885
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 CYP2A6 3776/4885DDAH1 4318/4885GRIN2D 419/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP2A6 780/4885DDAH1 3859/4885GRIN2D 525/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CYP2A6 1662/4885DDAH1 1143/4885GRIN2D 1535/4885
US-20140371197-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS TYR, DDT, TH CYP2A6 157/4885DDAH1 358/4885GRIN2D 4136/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 CYP2A6 51/4885DDAH1 2381/4885GRIN2D 1318/4885
US-20140187532-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS TYR, DDT, TH CYP2A6 157/4885DDAH1 358/4885GRIN2D 4136/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 CYP2A6 685/4885DDAH1 2822/4885GRIN2D 1388/4885

“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.