SCHEMBL3214047

SCHEMBL3214047

O=[N+]([O-])c1cccc(NCCO)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
DDX3X O00571 1/20 0.58
HTT P42858 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.54
BLM P54132 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL30067720 1.00 KMT2A (0.58) KMT2AMEN1POLBMAPTDDX3X
Methoxymethane SCHEMBL28167006 0.94 KMT2A (0.54) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL11115027 0.90 ALDH1A1 (0.57) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL6226767 0.88 MAPT (0.53) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL6231289 0.88 MAPT (0.53) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL28807504 0.86 MAPT (0.62) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL16943226 0.85 MAPT (0.56) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL5112156 0.84 L3MBTL1 (0.55) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL5167952 0.84 MAPT (0.55) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL8223354 0.83 MEN1 (0.54) KMT2AMEN1POLBMAPTDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646109-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES. OREAL (FR) 1995-04-05 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
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
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
WO-2023118333-A1 PROCESS FOR DYEING KERATIN FIBRES USING A COSMETIC COMPOSITION COMPRISING PROPANE-1,3-DIOL AND A DYEING COMPOSITION L'OREAL (FR) 2023-06-29 WO disclosed
WO-2023118332-A1 COMPOSITION COMPRISING TWO POLYOLS DIFFERENT FROM ONE ANOTHER, AN ALKALINE AGENT AND A DYE L'OREAL (FR) 2023-06-29 WO disclosed
CN-114340738-A Dyeing composition 莱雅公司 2022-04-12 CN disclosed
CN-113164364-A Azomethine dye chromophores 巴斯夫欧洲公司 2021-07-23 CN disclosed
CN-107548301-B Composition containing menthol as soothing agent 西姆莱斯股份公司 2021-05-11 CN disclosed
US-9578944-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-28 US disclosed
CN-103002952-B Hair conditioning composition comprising a cationic surfactant system, a direct dye and a nonionic thickener 宝洁公司 2017-02-15 CN disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
EP-1685091-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS Wella Aktiengesellschaft (DE) 2006-08-02 EP disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 WO disclosed
WO-2006039990-A1 COLOURING AGENTS CONTAINING CATIONIC INDAZOLINE-THIAZOLAZO DYES- THE PROCTER & GAMBLE COMPANY (US) 2006-04-20 WO disclosed
WO-2005051889-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 WO disclosed
CN-1541086-A Dyeing compson. for kerationous fibres comprising particular dicationic diazo dye �ź㴫 2004-10-27 CN disclosed
US-20040194231-A1 Composition for dyeing keratin fibers comprising a defined triheteroylmethane direct dye or leuco precursor of this dye and dyeing method using it L'OREAL S.A. (FR) 2004-10-07 US disclosed
WO-1997030684-A1 COSMETIC HAIR DYEING COMPOSITION AND METHODS FOR PREPARING SAME RHODIA CHIMIE (FR) 1997-08-28 WO disclosed
EP-0395837-A1 Oxidation hair dyes based on 4-aminophenol derivatives as well as new 4-aminophenol derivatives Wella Aktiengesellschaft (DE) 1990-11-07 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 (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-20040194231-A1 Composition for dyeing keratin fibers comprising a defined triheteroylmethane direct dye or leuco precursor of this dye and dyeing method using it KRT18, KMO, KRTCAP2 KMT2A 382/4885MEN1 4090/4885POLB 701/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 KMT2A 2543/4885MEN1 3023/4885POLB 34/4885

“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.