SCHEMBL109470

SCHEMBL109470

O=[N+]([O-])c1ccc(NCCO)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
TDP1 Q9NUW8 3/20 0.63
TSHR P16473 3/20 0.63
ALDH1A1 P00352 8/20 0.55
PKM P14618 1/20 0.53
MEN1 O00255 6/20 0.51
THRB P10828 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CXCR1 P25024 3/20 0.50
CXCR2 P25025 3/20 0.50
GPR35 Q9HC97 2/20 0.50
KCNMA1 Q12791 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 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
Methoxymethane SCHEMBL7082256 0.94 TSHR (0.61) KMT2ATDP1TSHRALDH1A1PKM
Di(Hydroxyethyl)Ether SCHEMBL7078302 0.92 TDP1 (0.66) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL8749218 0.87 KMT2A (0.62) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL126989 0.87 KMT2A (0.70) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL29390514 0.87 KMT2A (0.70) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL2470932 0.86 KAT2B (0.52) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL8664267 0.84 GAA (0.56) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL563763 0.84 PKM (0.67) KMT2ATDP1TSHRALDH1A1PKM
SCHEMBL9507998 0.83 MAPT (0.54) KMT2ATSHRALDH1A1PKMMEN1
Hydrochloric Acid SCHEMBL9651443 0.83 KAT2B (0.53) KMT2ATDP1TSHRALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 US claimed
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 CN claimed
CN-1899244-A Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2007-01-24 CN claimed
EP-1738800-A1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer L'Oréal (FR) 2007-01-03 EP claimed
EP-1738801-A1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid L'Oréal (FR) 2007-01-03 EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 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-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 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-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP 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-4494953-A 2,4-Dihydroxydiphenylamines and hair dyeing compositions and method L'OREAL (FR) 1985-01-22 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 (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-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 KMT2A 254/4885TDP1 2418/4885TSHR 3126/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP KMT2A 243/4885TDP1 1167/4885TSHR 4673/4885

“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.