SCHEMBL6477831

SCHEMBL6477831

CNC(C)c1cc(N)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CASP1 P29466 2/20 0.37
ALDH1A1 P00352 5/20 0.33
ALOX5 P09917 1/20 0.33
HTR2A P28223 5/20 0.32
SLC6A4 P31645 5/20 0.32
KCNH2 Q12809 3/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 2/20 0.31
RECQL P46063 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL5108679 0.80 HTR2A (0.46) ALDH1A1HTR2ASLC6A4KCNH2GAA
SCHEMBL6739761 0.80 MEN1 (0.41) CASP1ALDH1A1ALOX5GAATDP1
SCHEMBL5682803 0.80 PDE10A (0.45) CYP2D6CASP1ALDH1A1ALOX5GAA
SCHEMBL6476804 0.79 CASP1 (0.33) CASP1ALDH1A1ALOX5TDP1CYP3A4
SCHEMBL6742125 0.79 CASP1 (0.38) CASP1ALDH1A1ALOX5GAATDP1
SCHEMBL28252731 0.78 CASP1 (0.42) CASP1ALDH1A1GAATDP1CYP3A4
SCHEMBL29433029 0.78 CASP1 (0.42) CASP1ALDH1A1GAATDP1CYP3A4
SCHEMBL33893 0.78 CASP1 (0.42) CASP1ALDH1A1GAATDP1CYP3A4
SCHEMBL6483746 0.77 MEN1 (0.47) ALDH1A1GAATDP1CYP3A4ALOX15
SCHEMBL6740875 0.77 MEN1 (0.36) CASP1ALDH1A1GAATDP1CYP3A4

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
CN-1239467-C Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2006-02-01 CN disclosed
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
CN-1486297-A Primary intermediates for oxidative dyeing of hair P&G 2004-03-31 CN 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 CYP2D6 303/4885CASP1 651/4885ALDH1A1 7/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CYP2D6 303/4885CASP1 651/4885ALDH1A1 7/4885

“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.