SCHEMBL4669077

SCHEMBL4669077

Nc1ccc(NC(=O)NCCO)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.39
KDR P35968 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MARS1 P56192 1/20 0.38
KLKB1 P03952 1/20 0.38
CXCR2 P25025 2/20 0.37
CXCR1 P25024 2/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL4669116 0.83 GAA (0.44) KDM4EALDH1A1MAPTGAACYP3A4
SCHEMBL6836163 0.81 CXCR2 (0.57) ALDH1A1L3MBTL1GAACXCR2RAB9A
SCHEMBL4669109 0.80 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL7550117 0.80 CXCR1 (0.61) ALDH1A1MAPTCXCR2CXCR1POLB
SCHEMBL4668909 0.79 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL4782120 0.78 CA2 (0.59) KDM4EALDH1A1GAACA12CA1
SCHEMBL4669153 0.77 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGAACYP3A4
SCHEMBL7249350 0.77 MARS1 (0.53) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL24443647 0.76 TSHR (0.41) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL4667387 0.76 CA12 (0.39) KDM4EALDH1A1L3MBTL1MAPTCA12

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 16 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
EP-1175198-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 (FR) 2002-01-30 EP 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
WO-2001062220-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 (FR) 2001-08-30 WO claimed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
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 disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
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
EP-1175198-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 (FR) 2002-01-30 EP 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
WO-2001062220-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 (FR) 2001-08-30 WO 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 KDM4E 868/4885ALDH1A1 352/4885L3MBTL1 4861/4885
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 KDM4E 1443/4885ALDH1A1 389/4885L3MBTL1 4878/4885

“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.