SCHEMBL7256069

SCHEMBL7256069

O=C(NCCO)Nc1cccc(NC(=O)NCCO)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.47
▸ CASR P41180 2/20 0.46
▸ ITGB3 P05106 2/20 0.45
▸ ITGAV P06756 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7249350 0.84 MARS1 (0.53) EPHX1ITGB3ITGAVPOLBKMT2A
SCHEMBL7250133 0.79 GAA (0.58) EPHX1CASRITGB3ITGAVPOLB
SCHEMBL6289117 0.77 GOT1 (0.59) ITGB3ITGAVKMT2AMEN1L3MBTL1
SCHEMBL28823661 0.77 HTT (0.63) POLBKMT2AMEN1TRPV1KDM4E
SCHEMBL27929239 0.76 POLB (0.55) EPHX1CASRITGB3ITGAVPOLB
SCHEMBL27929201 0.75 KMT2A (0.49) EPHX1CASRKMT2AMEN1ALDH1A1
SCHEMBL21583073 0.74 KDM4E (0.60) EPHX1CASRPOLBKMT2AMEN1
SCHEMBL2894033 0.73 EPHX1 (0.64) EPHX1POLBKMT2AMEN1KDM4E
SCHEMBL13742969 0.73 KMT2A (0.54) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL7254971 0.72 ALDH1A1 (0.72) CASRPOLBKMT2AMEN1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX1 2085/4885CASR 2782/4885ITGB3 3181/4885
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 EPHX1 1413/4885CASR 3558/4885ITGB3 3803/4885

“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.

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