SCHEMBL5685489

SCHEMBL5685489

COc1ccc(NC(C)c2cc(N)ccc2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
TDP1 Q9NUW8 7/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
GAA P10253 5/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
HPGD P15428 3/20 0.71
KDM4E B2RXH2 3/20 0.71
TSHR P16473 1/20 0.53
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
NR4A1 P22736 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6484587 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL5682687 0.82 KMT2A (0.68) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL5685477 0.80 CASR (0.51) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL3975247 0.78 TDP1 (0.46) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL6739761 0.73 MEN1 (0.41) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL5682803 0.73 PDE10A (0.45) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL5681756 0.72 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL8140503 0.70 PDE10A (0.45) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL31490417 0.70 ALDH1A1 (0.56) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL7162593 0.70 CA1 (0.64) ALDH1A1MEN1KMT2AGAANR4A1

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 6 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
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 ALDH1A1 7/4885TDP1 2192/4885MEN1 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.