SCHEMBL6740985

SCHEMBL6740985

CC(Nc1ccccc1N(CCO)CCO)c1cc(N)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
CCNE2 O96020 3/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC29A1 Q99808 1/20 0.30
CDK1 P06493 1/20 0.30
CDK5 Q00535 1/20 0.30

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
SCHEMBL6735610 0.81 CHEK1 (0.40) PABPC1MAPT
SCHEMBL6740994 0.81
SCHEMBL6740807 0.77 KMT2A (0.34) MEN1KMT2AMAPTGAAPKM
SCHEMBL6734728 0.77 KMT2A (0.34) MEN1KMT2AMAPTGAAPKM
SCHEMBL6737909 0.76 MAPT (0.42) MEN1KMT2AMAPTGAAHTT
SCHEMBL6269111 0.74 MEN1 (0.36) MEN1KMT2APABPC1
SCHEMBL6742154 0.71 CD44 (0.33) MAPT
SCHEMBL6742125 0.70 CASP1 (0.38) MAPTGAAHTTALDH1A1
SCHEMBL6571427 0.70 MEN1 (0.44) MEN1KMT2APABPC1MAPTGAA
SCHEMBL844525 0.70 ALDH1A1 (0.35) MEN1KMT2APABPC1MAPTGAA

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 1779/4885PABPC1 3041/4885

“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.