SCHEMBL6744217

SCHEMBL6744217

Cc1ccc(N)cc1NCc1cc(N)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
DHFR P00374 4/20 0.39
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
HDAC8 Q9BY41 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL6272131 0.87 MAPT (0.51) CASP1GAAALDH1A1MAPTLMNA
SCHEMBL6266347 0.86 MAPT (0.43) CASP1ALDH1A1MAPTLMNADHFR
Hydrochloric Acid SCHEMBL6740118 0.85 MAPT (0.42) CASP1GAAALDH1A1MAPTLMNA
SCHEMBL6738673 0.81 GAA (0.42) CASP1GAAALDH1A1MAPTLMNA
SCHEMBL6742238 0.81 MAPT (0.40) CASP1GAAALDH1A1MAPTLMNA
SCHEMBL6269549 0.80 PRSS1 (0.40) CASP1GAAALDH1A1MAPTHTT
SCHEMBL6740865 0.80 CASP1 (0.50) CASP1GAAALDH1A1MAPTLMNA
SCHEMBL6743449 0.80 HDAC6 (0.46) GAAALDH1A1MAPTLMNADHFR
SCHEMBL6734215 0.79 CYP3A4 (0.41) CASP1GAAALDH1A1DHFRCYP3A4
SCHEMBL6738506 0.79 PRKCI (0.42) CASP1GAAALDH1A1MAPTLMNA

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 CASP1 904/4885GAA 4499/4885ALDH1A1 43/4885

“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.