SCHEMBL6186416

SCHEMBL6186416

Cc1cc(NCCc2ccncc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6189301 0.83 L3MBTL1 (0.48) ALDH1A1TDP1MAPTKDM4EMEN1
SCHEMBL2126641 0.80 CYP3A4 (0.53) ALDH1A1TDP1MAPTGAAHRH3
SCHEMBL9586793 0.78 MKNK1 (0.45) KDM4EADORA2AADORA1KCNH3PGK1
SCHEMBL14064827 0.77 RAD52 (0.52) ALDH1A1MAPTKDM4EADORA2AADORA1
SCHEMBL6376391 0.77 ALDH1A1 (0.53) ALDH1A1TDP1MAPTHRH3HTT
SCHEMBL2933227 0.77 ALDH1A1 (0.58) ALDH1A1TDP1MAPTHTTCYP3A4
Ammonia Solution, Strong SCHEMBL4846523 0.76 SKP2 (0.56) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL6191801 0.75 RAB9A (0.56) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL5461611 0.75 CYP3A4 (0.49) ALDH1A1TDP1MAPTGAAHRH3
SCHEMBL6369929 0.75 ALDH1A1 (0.56) ALDH1A1TDP1MAPTHTTCYP3A4

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
EP-1589012-A2 N-alkylheteroaryl secondary para-phenyldiamine, dyeing composition containing the same, process for making it and uses thereof L'OREAL (FR) 2005-10-26 EP claimed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US 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-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE KRT18, CDC73, PRKDC ALDH1A1 575/4885TDP1 1062/4885MAPT 2244/4885

“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.