SCHEMBL125386

SCHEMBL125386

Cc1cccc(NCCO)c1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.68
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 3/20 0.49
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.47
BRD4 O60885 1/20 0.45
MAPT P10636 6/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 2/20 0.43
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29393615 1.00 KAT2B (0.68) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL4861914 0.91 KAT2B (0.72) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL29901082 0.90 KAT2B (0.71) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL28855439 0.90 KAT2B (0.71) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL4619073 0.89 KAT2B (0.51) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL29901071 0.88 KAT2B (0.69) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL28855349 0.88 KAT2B (0.69) KAT2BTDP1ALDH1A1TSHRPOLB
Hydrochloric Acid SCHEMBL5063788 0.87 KAT2B (0.54) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL29901086 0.86 KAT2B (0.59) KAT2BTDP1ALDH1A1TSHRPOLB
SCHEMBL28855436 0.86 KAT2B (0.59) KAT2BTDP1ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
CN-119403534-A Method for treating keratin fibres comprising a pretreatment or post-treatment step 莱雅公司 2025-02-07 CN disclosed
CN-119403533-A Method for treating keratin fibres using a carnitine salt or a carnitine derivative 莱雅公司 2025-02-07 CN disclosed
CN-118043027-A Process for dyeing and/or lightening keratin fibres 莱雅公司 2024-05-14 CN disclosed
CN-117479916-A Composition comprising at least one alkyl (poly) glycoside, at least one fatty alcohol, at least one fatty acid and at least one alkaline agent 欧莱雅 2024-01-30 CN disclosed
CN-117425466-A Cosmetic composition comprising at least one alkyl (poly) glycoside, N-dicarboxymethyl glutamic acid, propane-1, 3-diol, at least one fatty substance other than fatty acid, at least one dye 欧莱雅 2024-01-19 CN disclosed
CN-117425465-A Composition comprising N, N-dicarboxymethyl glutamic acid, at least one fatty alcohol, at least one fatty acid, at least one polyol, at least one alkaline agent and optionally at least one dye 欧莱雅 2024-01-19 CN disclosed
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SYMRISE AG (DE) 2023-07-11 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
CN-1416798-A Specific amino silicone containing dye composition for body's cutin fiber OREAL (FR) 2003-05-14 CN disclosed
CN-1410047-A Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2003-04-16 CN disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 EP 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 (4 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 KAT2B 287/4885TDP1 3973/4885ALDH1A1 2065/4885
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 KAT2B 235/4885TDP1 2997/4885ALDH1A1 1651/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 KAT2B 484/4885TDP1 1969/4885ALDH1A1 188/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E KAT2B 864/4885TDP1 2678/4885ALDH1A1 1615/4885

“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.