SCHEMBL4842263

SCHEMBL4842263

Nc1ccc(NCCc2ccccn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.71
MAOB P27338 2/20 0.71
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
CYP1A2 P05177 2/20 0.60
HRH1 P35367 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
APP P05067 2/20 0.48
CYP2C19 P33261 1/20 0.47
PRMT1 Q99873 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46

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
Hydrochloric Acid SCHEMBL4843995 0.98 MAOA (0.69) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL31705591 0.86 CYP1A2 (0.68) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL3826771 0.86 CYP1A2 (0.68) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL23928119 0.86 NPC1 (0.59) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL30428084 0.86 NPC1 (0.59) MAOAMAOBNPC1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL31202578 0.84 NPC1 (0.69) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL12994650 0.83 NPC1 (0.68) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL7367694 0.83 CYP1A2 (0.64) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL20837976 0.83 MAOA (1.00) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL20662829 0.83 TAS1R3 (0.66) MAOAMAOBNPC1RAB9ACYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US claimed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US claimed
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US claimed
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-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
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-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US disclosed
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 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 (2 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 MAOA 820/4885MAOB 1159/4885NPC1 3674/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC MAOA 820/4885MAOB 1159/4885NPC1 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.