SCHEMBL112296

SCHEMBL112296

O=[N+]([O-])c1cc(Cl)ccc1NCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MAPT P10636 12/20 0.64
POLB P06746 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 3/20 0.62
TSHR P16473 1/20 0.62
PKM P14618 3/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.51
APP P05067 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
SCHEMBL7602927 0.92 MAPT (0.64) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL29580293 0.91 MAPT (0.66) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL2796146 0.91 MAPT (0.66) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL1520169 0.88 MAPT (0.64) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL9034789 0.84 ALDH1A1 (0.63) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL10935716 0.83 ALDH1A1 (0.66) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL10804680 0.83 ALDH1A1 (0.66) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL127370 0.83 ALDH1A1 (0.68) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL8053888 0.83 ALDH1A1 (0.63) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL563763 0.83 PKM (0.67) ALDH1A1MAPTPOLBSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP 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-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
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 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
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-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
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-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 US claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP claimed
EP-0226973-B1 4-BIS(2'-HYDROXYETHYL)AMINO-1-(3'-HYDROXYPROPYL)AMINO-2-NITRO-BENZENE, PROCESS FOR ITS PREPARATION AND MEANS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1991-03-06 EP claimed
US-4921504-A 4-(N-ethyl-N-2-hydroxyethyl)-amino-1-(2 hydroxyethyl)-amino-2-nitrobenzene and compositions for dyeing hair containing the same WELLA AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
EP-0184061-B1 4-(N-ETHYL,N-2'-HYDROXYETHYL)-AMINO-1-(2\"-HYDROXYETHYL)-AMINO-2-NITROBENZENE AND HAIR DYEING AGENTS Wella Aktiengesellschaft (DE) 1988-12-14 EP claimed
EP-0184061-A1 4-(N-ethyl,N-2'-hydroxyethyl)-amino-1-(2\"-hydroxyethyl)-amino-2-nitrobenzene and hair dyeing agents Wella Aktiengesellschaft (DE) 1986-06-11 EP 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 ALDH1A1 930/4885NPSR1 3785/4885MAPT 730/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP ALDH1A1 385/4885NPSR1 4002/4885MAPT 1332/4885

“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.