SCHEMBL112074

SCHEMBL112074

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
PKM P14618 2/20 0.70
PRSS1 P07477 4/20 0.63
KDM4E B2RXH2 1/20 0.61
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
GAA P10253 1/20 0.60
HCAR3 P49019 5/20 0.59
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL29513025 0.93 KMT2A (0.76) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL29513074 0.90 PRSS1 (0.75) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL29513080 0.90 PRSS1 (0.77) KMT2APKMPRSS1KDM4ELMNA
Hydrochloric Acid SCHEMBL28720505 0.87 KMT2A (0.69) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL22118764 0.87 HCAR3 (0.78) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL1066375 0.87 HCAR3 (0.77) KMT2APKMMAPTHCAR3ALDH1A1
SCHEMBL22121008 0.86 KMT2A (0.67) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL19451789 0.85 PRSS1 (0.68) KMT2APKMPRSS1KDM4ELMNA
Hydrochloric Acid SCHEMBL28722113 0.85 PRSS1 (0.68) KMT2APKMPRSS1KDM4ELMNA
SCHEMBL5674224 0.84 HCAR3 (0.76) KMT2APKMPRSS1KDM4ELMNA

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 776 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
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP claimed
EP-0673926-B1 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 OREAL (FR) 1997-04-09 EP claimed
EP-0487205-B1 Compositions containing nitroaniline dyes having a carbamide substituent group BRISTOL MYERS SQUIBB CO (US) 1996-08-21 EP 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
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-5171889-A Yellow hair dyes CLAIROL INCORPORATED (US) 1992-12-15 US claimed
EP-0487205-A2 Compositions containing nitroaniline dyes having a carbamide substituent group Bristol-Myers Squibb Company (US) 1992-05-27 EP claimed
US-5042988-A Compositions containing nitroaniline dyes having a carbamide substituent group CLAIROL INCORPORATED (US) 1991-08-27 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 254/4885PKM 1394/4885PRSS1 3483/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP KMT2A 243/4885PKM 1116/4885PRSS1 3268/4885

“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.