SCHEMBL210589

SCHEMBL210589

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

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.85
TSHR P16473 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
PKM P14618 3/20 0.47
HCAR3 P49019 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 7/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
GALR3 O60755 1/20 0.43
KAT2B Q92831 1/20 0.43

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
Hydrochloric Acid SCHEMBL30100543 0.99 ALDH1A1 (0.83) ALDH1A1TSHRTDP1PKMHCAR3
Hydrochloric Acid SCHEMBL454521 0.99 ALDH1A1 (0.83) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL28924912 0.94 ALDH1A1 (0.78) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL8653764 0.93 ALDH1A1 (0.73) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL8658868 0.93 ALDH1A1 (0.73) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL29829407 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL109266 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMHCAR3
Hydrochloric Acid SCHEMBL8641009 0.92 ALDH1A1 (0.72) ALDH1A1TSHRTDP1PKMHCAR3
Hydrochloric Acid SCHEMBL8643503 0.92 ALDH1A1 (0.72) ALDH1A1TSHRTDP1PKMHCAR3
SCHEMBL8799830 0.91 ALDH1A1 (0.88) ALDH1A1TSHRTDP1PKMHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016026710-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2016-02-25 WO claimed
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-0898954-B1 Composition for dyeing keratin fibres WELLA AG (DE) 2004-09-15 EP claimed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP claimed
EP-0608393-B1 HAIR DYES WELLA AG (DE) 1996-03-20 EP claimed
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 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-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
US-5132461-A Process for the production of 4-[ethyl-(2'-hydroxyethyl)-amino]-1-[(2'-hydroxyethyl)-amino]-2-nitro-benzene WELLA AKTIENGESELLSCHAFT (DE) 1992-07-21 US claimed
US-4900869-A Process for the production of 4-[ethyl-(2'-hydroxyethyl)-amino]-1-[(2'-hydroxyethyl)-amino]-2-nitrobenzene Wella, Aktiengesellschaft (DE) 1990-02-13 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-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 ALDH1A1 188/4885TSHR 4670/4885TDP1 1969/4885

“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.