SCHEMBL126989

SCHEMBL126989

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
TSHR P16473 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 8/20 0.58
PKM P14618 2/20 0.56
MEN1 O00255 6/20 0.53
THRB P10828 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 7/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.49
KAT2B Q92831 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL29390514 1.00 KMT2A (0.70) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL16210843 0.91 KMT2A (0.63) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL8749218 0.87 KMT2A (0.62) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL6896833 0.87 KMT2A (0.62) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL109470 0.87 KMT2A (0.67) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL563763 0.87 PKM (0.67) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL4668064 0.85 KMT2A (0.61) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL108393 0.85 KMT2A (0.65) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL113357 0.85 KMT2A (0.61) KMT2ATSHRTDP1ALDH1A1PKM
SCHEMBL11969282 0.85 KMT2A (0.65) KMT2ATSHRTDP1ALDH1A1PKM

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 498 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-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
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 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-1437123-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2004-07-14 EP 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-0999823-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2004-06-16 EP claimed
US-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL S.A. (FR) 2003-01-02 US claimed
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-07-25 US claimed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US claimed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP claimed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO 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-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-4935032-A DIRECT NITROBENZENE DYE L'OREAL (FR) 1990-06-19 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 (4 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-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, CYB5R3, TUBB6 KMT2A 1964/4885TSHR 4611/4885TDP1 2708/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 KMT2A 1664/4885TSHR 4670/4885TDP1 1969/4885
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 KMT2A 2071/4885TSHR 4814/4885TDP1 1425/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B KMT2A 1572/4885TSHR 4711/4885TDP1 3040/4885

“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.