SCHEMBL6735671

SCHEMBL6735671

CN(Cc1cc(N)ccc1N)c1cccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
ACHE P22303 1/20 0.38
CYP3A4 P08684 2/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
CYP19A1 P11511 2/20 0.34
DHFR P00374 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
TP53 P04637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL6739797 0.84 PRKCI (0.40) PRKCIACHECYP3A4CASP1RECQL
SCHEMBL6741221 0.84 ALDH1A1 (0.45) PRKCIACHECYP3A4CASP1RECQL
SCHEMBL6738059 0.82 PRKCI (0.35) PRKCIACHECYP3A4
SCHEMBL6738054 0.82 PRKCI (0.35) PRKCIACHE
SCHEMBL16616918 0.77 DHFR (0.49) CYP3A4CASP1RECQLDHFR
SCHEMBL6739435 0.77 PRKCI (0.37) PRKCIACHECYP3A4CASP1RECQL
SCHEMBL6741777 0.76 PRKCI (0.39) PRKCIACHECYP3A4CASP1CYP19A1
SCHEMBL3110687 0.76 CYP3A4 (0.44) PRKCICYP3A4CASP1RECQLSIGMAR1
SCHEMBL6739782 0.76 IDH2 (0.33) PRKCI
SCHEMBL1708813 0.75 SLC6A4 (0.50) 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 2422/4885CYP3A4 988/4885

“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.