SCHEMBL6740875

SCHEMBL6740875

CC(Nc1ccc(N)c(N)c1)c1cc(N)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.32
HTR6 P50406 2/20 0.32
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GSK3B P49841 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
SCHEMBL6739761 0.89 MEN1 (0.41) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6734145 0.84 MEN1 (0.43) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6483746 0.82 MEN1 (0.47) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6739233 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6484587 0.80 ALDH1A1 (0.52) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6477831 0.77 CYP2D6 (0.38) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6738105 0.77 EGFR (0.38) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL6740811 0.77 MEN1 (0.36) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6742125 0.76 CASP1 (0.38) MAPTMAPK1HTTTDP1ALDH1A1
SCHEMBL6737909 0.74 MAPT (0.42) MEN1KMT2AMAPTMAPK1HTT

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 MEN1 2715/4885KMT2A 1779/4885MAPT 2345/4885

“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.