SCHEMBL6189301

SCHEMBL6189301

Cc1cc(NCCc2cccnc2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRNA7 P36544 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
CYP2A6 P11509 1/20 0.42
PIK3CD O00329 1/20 0.42
APAF1 O14727 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL265064 0.87 HRH3 (0.55) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL6186416 0.83 ALDH1A1 (0.46) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5534209 0.80 ALDH1A1 (0.71) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL4842246 0.80 CHRNA7 (0.56) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL3901187 0.79 MAPT (0.57) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL13177792 0.76 HDAC2 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6190093 0.76 ALDH1A1 (0.53) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL3131368 0.76 L3MBTL1 (0.58) L3MBTL1KDM4ENPC1RAB9AMAPT
SCHEMBL2126641 0.75 CYP3A4 (0.53) MAPTALDH1A1HRH3TDP1
SCHEMBL10875855 0.75 POLB (0.54) L3MBTL1KDM4ENPC1RAB9AMEN1

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 L3MBTL1 4708/4885KDM4E 1530/4885NPC1 3674/4885

“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.