SCHEMBL6739233

SCHEMBL6739233

CC(Nc1ccc(N(C)C)cc1)c1cc(N)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 8/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 6/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGFR P00533 1/20 0.35

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 0.87 MEN1 (0.41) ALDH1A1TDP1MAPK1ALOX15TP53
SCHEMBL6740811 0.84 MEN1 (0.36) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL6738105 0.84 EGFR (0.38) ALDH1A1TDP1MAPK1ALOX15TP53
SCHEMBL6740807 0.80 KMT2A (0.34) ALDH1A1TDP1MAPK1TP53CYP3A4
SCHEMBL6483746 0.80 MEN1 (0.47) ALDH1A1TDP1MAPK1ALOX15CYP3A4
SCHEMBL6740875 0.80 MEN1 (0.36) ALDH1A1TDP1MAPK1ALOX15TP53
Hydrochloric Acid SCHEMBL6273752 0.79 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1ALOX15TP53
SCHEMBL6484587 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CYP3A4KMT2A
SCHEMBL6734145 0.76 MEN1 (0.43) ALDH1A1TDP1TP53CYP3A4KMT2A
SCHEMBL6735610 0.73 CHEK1 (0.40) ALOX15TP53MAPTSMN1; SMN2EGFR

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 ALDH1A1 43/4885TDP1 964/4885MAPK1 287/4885

“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.