SCHEMBL4420446

SCHEMBL4420446

COc1nc2c(OC)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
CBFB Q13951 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
HPSE Q9Y251 2/20 0.49
NQO2 P16083 4/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MCHR1 Q99705 1/20 0.43
PARP1 P09874 1/20 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
SCHEMBL3974201 0.88 CBFB (0.44) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL23123180 0.86 SMN1; SMN2 (0.54) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL4611125 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL1170818 0.83 CBFB (0.69) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL31578248 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL18304068 0.80 DRD2 (0.51) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL941420 0.80 HPGD (0.54) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL8014752 0.80 MGAM (0.43) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL215705 0.80 CYP3A4 (0.54) ALDH1A1CYP3A4HPGDTP53CYP2D6
SCHEMBL23122996 0.80 NQO2 (0.38) ALDH1A1CYP3A4HPGDTP53CYP2D6

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 17 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO 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 (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-20060183188-A1 Genes from propionibacterium freudenreichii encoding enzymes involved in vitamin b12 biosynthesis COASY, AMD1, BLVRB ALDH1A1 1176/4885CYP3A4 2019/4885HPGD 179/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 ALDH1A1 1096/4885CYP3A4 1710/4885HPGD 1722/4885

“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.