SCHEMBL4420447

SCHEMBL4420447

COc1nc2cccc(OC)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.46
DCPS Q96C86 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CDK9 P50750 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
PSMB8 P28062 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
AMY1A P0DUB6 1/20 0.41

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
SCHEMBL16789829 0.81 NPC1 (0.39) NQO2DCPSALDH1A1HPGDNPC1
SCHEMBL4611131 0.81 ALDH1A1 (0.46) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL24834182 0.80 DCPS (0.47) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL6935072 0.80 NQO2 (0.44) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL28127254 0.80 CDK9 (0.46) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL2549634 0.80 NQO2 (0.44) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL31723877 0.80 DCPS (0.47) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL941422 0.80 KEAP1 (0.47) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL6650617 0.80 CDK9 (0.46) NQO2DCPSKEAP1NFE2L2CDK9
SCHEMBL1041136 0.78 PLAUR (0.50) NQO2DCPSCDK9DYRK1AALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
US-20250161269-A1 COMPOSITIONS AND METHODS FOR PERIPHERAL TARGETING OF MELATONIN RECEPTOR AGONIST CELMATIX INC. 2025-05-22 US disclosed
EP-2766359-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES Ambit Biosciences Corporation (US) 2014-08-20 EP disclosed
WO-2013056070-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 WO disclosed
US-7527953-B2 Genes from Propionibacterium freudenreichii encoding enzymes involved in vitamin B12 biosynthesis DSM IP ASSETS B.V. (NL) 2009-05-05 US disclosed
US-20060183188-A1 Genes from propionibacterium freudenreichii encoding enzymes involved in vitamin b12 biosynthesis DSM IP ASSETS B.V. (NL) 2006-08-17 US disclosed
EP-1525303-A1 GENES FROM PROPIONIBACTERIUM FREUDENREICHII ENCODING ENZYMES INVOLVED IN VITAMIN B12 BIOSYNTHESIS DSM IP Assets B.V. (NL) 2005-04-27 EP disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed
WO-2004011635-A1 GENES FROM PROPIONIBACTERIUM FREUDENREICHII ENCODING ENZYMES INVOLVED IN VITAMIN B12 BIOSYNTHESIS DSM IP ASSETS B.V. (NL) 2004-02-05 WO disclosed
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 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 (1 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-20060183188-A1 Genes from propionibacterium freudenreichii encoding enzymes involved in vitamin b12 biosynthesis COASY, AMD1, BLVRB NQO2 250/4885DCPS 178/4885KEAP1 3005/4885

“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.