SCHEMBL6739797

SCHEMBL6739797

CN(Cc1cc(N)ccc1N)c1ccc(N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ACHE P22303 1/20 0.39
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
PSMD14 O00487 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DHFR P00374 4/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S100B P04271 1/20 0.33
CASP1 P29466 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
SCHEMBL6741221 0.89 ALDH1A1 (0.45) PRKCIACHECYP3A4TDP1ALDH1A1
SCHEMBL6735671 0.84 PRKCI (0.39) PRKCIACHECYP3A4TP53RECQL
SCHEMBL6740926 0.78 PRKCI (0.37) PRKCIACHECYP3A4TDP1ALDH1A1
SCHEMBL6740930 0.78 PRKCI (0.37) PRKCIACHECYP3A4TDP1ALDH1A1
SCHEMBL1708813 0.77 SLC6A4 (0.50) PRKCIACHETDP1ALDH1A1L3MBTL1
SCHEMBL6743463 0.76 PRKCI (0.41) PRKCIACHECYP3A4ALDH1A1MAPK1
SCHEMBL27040171 0.75 AOC3 (0.47) ALDH1A1TSHRDHFRSMN1; SMN2
SCHEMBL6738059 0.75 PRKCI (0.35) PRKCIACHECYP3A4ALDH1A1
SCHEMBL6738054 0.75 PRKCI (0.35) PRKCIACHE
SCHEMBL6741777 0.74 PRKCI (0.39) PRKCIACHECYP3A4ALDH1A1HTR2A

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.