SCHEMBL200006

SCHEMBL200006

Cc1cc(N)c([N+](=O)[O-])cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR35 Q9HC97 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL29960028 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL5718554 0.92 TSHR (0.52) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
Nitrobenzene SCHEMBL10937158 0.87 TSHR (0.49) ALDH1A1CYP3A4TSHRALOX15MAPK1
SCHEMBL9464332 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL4368022 0.84 GPR35 (0.54) ALDH1A1CYP3A4TSHRALOX15RECQL
SCHEMBL348272 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL11219818 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL30578459 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL9652342 0.82 TSHR (0.57) ALDH1A1CYP3A4TSHRALOX15L3MBTL1
SCHEMBL10266188 0.82 GPR35 (0.52) ALDH1A1CYP3A4TSHRALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
EP-1666095-B1 Composition for simultaneous colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline OREAL (FR) 2010-05-19 EP claimed
US-7452386-B2 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2008-11-18 US claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
US-20060191080-A1 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2006-08-31 US claimed
EP-1666095-A1 Composition for simultanesou colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline Societe L'Oreal S.A. (FR) 2006-06-07 EP claimed
EP-1437123-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2004-07-14 EP claimed
EP-0999823-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2004-06-16 EP claimed
US-6712861-B2 CATIONIC DIRECT DYE L'OREAL S.A. (FR) 2004-03-30 US claimed
WO-1994000415-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 US claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 US claimed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 US claimed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 US claimed
US-4511360-A Dyeing compositions based on oxidation dyestuff precursors and on nitro benzene dyestuffs and their use for dyeing keratin fibres L'OREAL (FR) 1985-04-16 US claimed
US-4324553-A OXIDATION COLOR DYES L'OREAL (FR) 1982-04-13 US claimed
US-4323360-A Dyeing compositions for hair which contain 2,4-diamino-butoxybenzene and/or a salt thereof as the coupling agent L'OREAL (FR) 1982-04-06 US 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 (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-20060191080-A1 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline KRT18, NOX4, NOX5 ALDH1A1 1918/4885CYP3A4 2229/4885TSHR 4396/4885

“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.