SCHEMBL6743463

SCHEMBL6743463

CN(Cc1cc(N)ccc1N)c1ccc(N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
ACHE P22303 2/20 0.40
CASP1 P29466 3/20 0.38
GAA P10253 4/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
CHEK1 O14757 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
SCHEMBL6741777 0.86 PRKCI (0.39) PRKCIACHECASP1HTR2ASLC6A4
SCHEMBL6739435 0.80 PRKCI (0.37) PRKCIACHECASP1HTR2ASLC6A4
SCHEMBL6741221 0.79 ALDH1A1 (0.45) PRKCIACHECASP1GAAHTR2A
SCHEMBL5966724 0.79 ACHE (0.48) ACHEHTR2ASLC6A4MAPTCYP19A1
SCHEMBL1708813 0.78 SLC6A4 (0.50) PRKCIACHECASP1GAAKMT2A
SCHEMBL6739797 0.76 PRKCI (0.40) PRKCIACHECASP1HTR2ASLC6A4
SCHEMBL11751589 0.76 HRH3 (0.40) PRKCIACHECASP1GAAKMT2A
SCHEMBL30221431 0.76 HRH3 (0.40) PRKCIACHECASP1GAAKMT2A
SCHEMBL15545785 0.75 CASP1 (0.35) CASP1GAAKMT2AMAPTMAPK1
SCHEMBL6735671 0.75 PRKCI (0.39) PRKCIACHECASP1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP 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-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO PRKCI 2922/4885ACHE 2422/4885CASP1 904/4885

“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.