SCHEMBL6476804

SCHEMBL6476804

CC(O)NC(C)c1cc(N)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.33
ALOX5 P09917 1/20 0.33
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11584910 0.80 CASP1 (0.38) CASP1ALOX5THRBRECQLMEN1
SCHEMBL6477831 0.79 CYP2D6 (0.38) CASP1ALOX5THRBRECQLMEN1
SCHEMBL446559 0.78 ALDH1A1 (0.41) CASP1ALOX5THRBRECQLMEN1
SCHEMBL29940754 0.78 ALDH1A1 (0.41) CASP1ALOX5THRBRECQLMEN1
SCHEMBL6739761 0.76 MEN1 (0.41) CASP1ALOX5THRBMEN1MAPT
SCHEMBL6742125 0.74 CASP1 (0.38) CASP1ALOX5MAPTTDP1ALDH1A1
SCHEMBL29433029 0.73 CASP1 (0.42) CASP1THRBRECQLMEN1USP2
SCHEMBL28252731 0.73 CASP1 (0.42) CASP1THRBRECQLMEN1USP2
SCHEMBL33893 0.73 CASP1 (0.42) CASP1THRBRECQLMEN1USP2
SCHEMBL6483746 0.73 MEN1 (0.47) THRBRECQLMEN1POLBMAPT

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
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASP1 651/4885ALOX5 612/4885THRB 2862/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASP1 651/4885ALOX5 612/4885THRB 2862/4885

“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.