SCHEMBL4667396

SCHEMBL4667396

Nc1ccc(NC(=O)N(CCO)CCO)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
GAA P10253 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
ESR2 Q92731 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KLKB1 P03952 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL4669220 0.83 ABCC1 (0.47) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL4667388 0.79 GAA (0.41) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL4670047 0.78 TDP1 (0.39) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL7250892 0.78 GAA (0.47) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4668717 0.78 HTT (0.50) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL4667410 0.77 MAPT (0.37) MAPTKDM4EALDH1A1NPSR1CA1
SCHEMBL4669077 0.74 KDM4E (0.40) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL4669067 0.73 NPSR1 (0.44) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL4667391 0.73 MAPT (0.52) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL4669202 0.73 MAPT (0.47) MAPTGAAKDM4EALDH1A1CYP3A4

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
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US claimed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 EP claimed
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US disclosed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US disclosed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US disclosed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 EP 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 (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-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods KRT18, FH, FGB MAPT 563/4885GAA 4640/4885KDM4E 868/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 MAPT 879/4885GAA 4734/4885KDM4E 1443/4885

“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.