SCHEMBL6486185

SCHEMBL6486185

CC(N)c1cc(N)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL28252731 0.83 CASP1 (0.42) CASP1TP53HTTALDH1A1CYP3A4
SCHEMBL33893 0.83 CASP1 (0.42) CASP1TP53HTTALDH1A1CYP3A4
SCHEMBL29433029 0.83 CASP1 (0.42) CASP1TP53HTTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10534032 0.81 CASP1 (0.41) CASP1TP53HTTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10534025 0.81 CASP1 (0.41) CASP1TP53HTTALDH1A1CYP3A4
SCHEMBL446559 0.79 ALDH1A1 (0.41) CASP1HTTALDH1A1CYP3A4TDP1
SCHEMBL29940754 0.79 ALDH1A1 (0.41) CASP1HTTALDH1A1CYP3A4TDP1
Benzene SCHEMBL27545048 0.79 ANPEP (0.41) CASP1LMNATP53HTTALDH1A1
SCHEMBL22101860 0.79 CASP1 (0.39) CASP1TP53ALDH1A1CYP3A4TDP1
SCHEMBL4620368 0.79 CASP1 (0.39) CASP1TP53ALDH1A1CYP3A4TDP1

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 13 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-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 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-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 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 (4 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 651/4885LMNA 1878/4885TP53 1789/4885
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 CASP1 794/4885LMNA 3367/4885TP53 2610/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC CASP1 672/4885LMNA 3052/4885TP53 2678/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASP1 651/4885LMNA 1878/4885TP53 1789/4885

“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.