SCHEMBL109266

SCHEMBL109266

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TSHR P16473 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
PKM P14618 1/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
PRSS1 P07477 4/20 0.45
HCAR3 P49019 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GALR3 O60755 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
SCHEMBL29829407 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL10693170 0.94 ALDH1A1 (0.88) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8799830 0.94 ALDH1A1 (0.88) ALDH1A1TSHRTDP1PKMMAPT
Hydrochloric Acid SCHEMBL8974864 0.93 ALDH1A1 (0.86) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL210589 0.92 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8647818 0.92 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL198602 0.92 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL30808004 0.92 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8799187 0.92 ALDH1A1 (0.84) ALDH1A1TSHRTDP1PKMMAPT
Hydrochloric Acid SCHEMBL454521 0.91 ALDH1A1 (0.83) ALDH1A1TSHRTDP1PKMMAPT

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 1019 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN claimed
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-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-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-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 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-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP 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-0460127-B1 HAIR TONING AGENT IN FOAM FORM Wella Aktiengesellschaft (DE) 1993-01-20 EP claimed
EP-0352489-B1 USE OF 2,6-DINITROPHENOL DERIVATIVES IN HAIR DYEING COMPOSITIONS Wella Aktiengesellschaft (DE) 1992-06-17 EP claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US claimed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP claimed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 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 (1 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-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.