SCHEMBL6742154

SCHEMBL6742154

CC(Nc1cccc(N)c1N)c1cc(N)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
SNCA P37840 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
ANPEP P15144 1/20 0.31
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
HDAC3 O15379 3/20 0.30
HDAC1 Q13547 3/20 0.30
HDAC2 Q92769 3/20 0.30
NCOR2 Q9Y618 3/20 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
SCHEMBL6737909 0.87 MAPT (0.42) KDM4ETP53APPMAPTHPGD
SCHEMBL6742125 0.80 CASP1 (0.38) MAPTALOX15CASP1
SCHEMBL6735610 0.77 CHEK1 (0.40) KDM4ETP53APPMAPTHPGD
SCHEMBL6734145 0.77 MEN1 (0.43) KDM4ETP53MAPTSMN1; SMN2MAPKAPK2
Hydrochloric Acid SCHEMBL6853519 0.76 CRHBP (0.49) MAPTHPGDALOX15SMN1; SMN2CYP3A4
SCHEMBL30039012 0.75 CD44 (0.43) CD44KDM4ETP53APPMAPT
SCHEMBL6483746 0.75 MEN1 (0.47) KDM4EMAPTALOX15HSD17B10CYP3A4
SCHEMBL6739761 0.74 MEN1 (0.41) KDM4ETP53APPMAPTHPGD
SCHEMBL6740994 0.74
SCHEMBL6477831 0.73 CYP2D6 (0.38) MAPTHPGDALOX15BLMHSD17B10

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 CD44 649/4885KDM4E 1123/4885TP53 2340/4885

“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.