SCHEMBL891571

SCHEMBL891571

Nc1ccc(N(CCN(CCO)CCO)c2ccc(N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 4/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GFER P55789 2/20 0.38
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL2974731 0.89 MAPT (0.37) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL28958670 0.80 CYP3A4 (0.54) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL1982306 0.77 KDM4E (0.69) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL4667347 0.74 ALDH1A1 (0.38) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL18979892 0.74 CYP3A4 (0.62) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL8521178 0.74 ALDH1A1 (0.54) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL33874 0.74 ALDH1A1 (0.54) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL7257009 0.73 L3MBTL1 (0.36) KDM4ECYP3A4ALDH1A1TDP1TSHR
SCHEMBL33796 0.72 ALDH1A1 (0.52) KDM4ECYP3A4ALDH1A1TDP1TSHR
Water SCHEMBL3359653 0.72 ALDH1A1 (0.52) KDM4ECYP3A4ALDH1A1TDP1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US claimed
US-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines L'OREAL S.A. 2001-09-13 US claimed
US-20210346258-A1 DHA AS A HAIR COLOURANT Vivimed Specialty Chemicals UK Limited (GB) 2021-11-11 US disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-8349023-B2 After treatment for color fixation HENKEL AG & CO. KGAA (DE) 2013-01-08 US disclosed
US-20120080046-A1 After Treatment for Color Fixation HENKEL AG & CO. KGAA (DE) 2012-04-05 US disclosed
EP-1562538-B1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE SPECIFIC CYCLIC CARBONATE WHICH MAY BE POLYMERISED OREAL (FR) 2010-11-03 EP disclosed
US-7132543-B2 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2006-11-07 US disclosed
US-20040248961-A1 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2004-12-09 US disclosed

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-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA KDM4E 763/4885CYP3A4 2614/4885ALDH1A1 264/4885
US-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines DPYD, KRT18, PNPO KDM4E 836/4885CYP3A4 940/4885ALDH1A1 443/4885
US-20040248961-A1 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers KRT18, CDC73, PKN1 KDM4E 1264/4885CYP3A4 1895/4885ALDH1A1 783/4885
US-20120080046-A1 After Treatment for Color Fixation TYR, NAT1, KAT2A KDM4E 1271/4885CYP3A4 794/4885ALDH1A1 376/4885

“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.