SCHEMBL198602

SCHEMBL198602

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCCO

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.85
TSHR P16473 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 4/20 0.49
HCAR3 P49019 3/20 0.47
KAT2B Q92831 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.46
GSTM2 P28161 1/20 0.45
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL30808004 1.00 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL9820092 0.99 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8655630 0.97 ALDH1A1 (0.81) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8657350 0.96 ALDH1A1 (0.79) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8653805 0.95 ALDH1A1 (0.76) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8654774 0.94 ALDH1A1 (0.76) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8645145 0.94 ALDH1A1 (0.74) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8645118 0.93 ALDH1A1 (0.74) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8658868 0.93 ALDH1A1 (0.73) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL29829407 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 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-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 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-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-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
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP claimed
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US 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
WO-1990007557-A1 2-AMINO-6-CHLOR-4-NITROPHENOL DERIVATIVES, PROCESS FOR OBTAINING THEM AND HAIR DYE CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO claimed
EP-0376047-A1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same Wella Aktiengesellschaft (DE) 1990-07-04 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 930/4885TSHR 3126/4885TDP1 2418/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP ALDH1A1 385/4885TSHR 4673/4885TDP1 1167/4885

“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.