SCHEMBL6187553

SCHEMBL6187553

Cc1cc(N)ccc1NCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
PKM P14618 3/20 0.48
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4028848 0.86 MAPT (0.61) CYP1A2ALDH1A1LMNAALOX15MAPT
SCHEMBL6794552 0.84 PKM (0.55) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL6794355 0.83 CYP1A2 (0.51) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL10750851 0.83 CYP1A2 (0.51) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL6191755 0.83 PGK1 (0.54) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL29736848 0.82 CYP1A2 (0.60) CYP1A2HRH3ALDH1A1LMNATAAR1
Hydrochloric Acid SCHEMBL4849352 0.82 RAB9A (0.54) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL10752732 0.81 NPC1 (0.64) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL6792582 0.81 PKM (0.47) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL6798950 0.80 RAB9A (0.50) CYP1A2HRH3ALDH1A1LMNATAAR1

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 9 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
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
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO 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 CYP1A2 1286/4885HRH3 163/4885ALDH1A1 575/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 CYP1A2 640/4885HRH3 2617/4885ALDH1A1 1427/4885

“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.