SCHEMBL5682803

SCHEMBL5682803

CNC(C)c1cc(N)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALOX5 P09917 1/20 0.45
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP1 P29466 2/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
HPGD P15428 3/20 0.38
PRKCI P41743 1/20 0.38
GAA P10253 4/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 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
SCHEMBL11674658 0.80 MEN1 (0.43) MEN1KMT2AHTTMAPK1MAPT
SCHEMBL6477831 0.80 CYP2D6 (0.38) ALOX5MEN1KMT2AHTTMAPK1
SCHEMBL2739345 0.79 PDE10A (0.52) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL17774759 0.78 PDE10A (0.50) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL3194749 0.78 PDE10A (0.50) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL17774755 0.78 PDE10A (0.50) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL5681804 0.78 PDE10A (0.50) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL4625449 0.78 ALOX5 (0.40) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL5682687 0.78 KMT2A (0.68) PDE10AALOX5MEN1KMT2AHTT
SCHEMBL17774742 0.77 PDE10A (0.41) PDE10AALOX5MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359891-B1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2006-03-15 EP disclosed
US-6838561-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-01-04 US disclosed
EP-1359891-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-12-01 EP disclosed
CN-1487817-A Primary intermediates for oxidative dyeing of hair P&G 2004-04-07 CN disclosed
EP-1359891-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020144358-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002062308-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-15 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 (1 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-20020144358-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 PDE10A 2217/4885ALOX5 561/4885MEN1 3545/4885

“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.