SCHEMBL112673

SCHEMBL112673

CNc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 1/20 0.58
FFAR4 Q5NUL3 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.45

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
SCHEMBL13548441 0.85 TDP1 (0.58) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL30726456 0.85 TDP1 (0.58) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL27039902 0.82 ALDH1A1 (0.55) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL10385970 0.81 MAPT (0.59) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL29674877 0.80 HTT (0.66) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL3911774 0.80 HTT (0.66) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL5625355 0.80 FFAR4 (0.65) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL10534498 0.79 HTT (0.71) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11835914 0.79 ALDH1A1 (0.59) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL27685352 0.79 MAPT (0.55) TSHRTDP1ALDH1A1MAPTMEN1

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 625 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
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 US claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 US claimed
EP-1738801-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2010-06-09 EP claimed
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 EP claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 US claimed
US-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration L'OREAL S.A. (FR) 2007-02-15 US claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 EP claimed
EP-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 EP claimed
EP-0646109-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES. OREAL (FR) 1995-04-05 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP 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-4935032-A DIRECT NITROBENZENE DYE L'OREAL (FR) 1990-06-19 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 (3 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-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration KRT18, BRD7, KAT7 TSHR 3126/4885TDP1 2418/4885ALDH1A1 930/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP TSHR 4673/4885TDP1 1167/4885ALDH1A1 385/4885
US-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA TSHR 2543/4885TDP1 2312/4885ALDH1A1 152/4885

“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.