SCHEMBL6190093

SCHEMBL6190093

Cc1cc(N)ccc1NCCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CHRNA7 P36544 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2A6 P11509 1/20 0.42
PIK3CD O00329 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6190621 0.83 ADRA2C (0.43) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL4842246 0.77 CHRNA7 (0.56) ALDH1A1CHRNA7KDM4EL3MBTL1NPC1
SCHEMBL6189301 0.76 L3MBTL1 (0.48) ALDH1A1CHRNA7KDM4EL3MBTL1NPC1
SCHEMBL3999586 0.76 CHRNA7 (0.50) CHRNA7GAAKDM4EL3MBTL1NPC1
SCHEMBL23983097 0.75 CFTR (0.41) ALDH1A1RAB9AMEN1KMT2ATDP1
SCHEMBL1053111 0.75 HDAC6 (0.51) ALDH1A1CHRNA7L3MBTL1MEN1KMT2A
SCHEMBL6187553 0.74 CYP1A2 (0.51) ALDH1A1KDM4ENPC1RAB9ATDP1
SCHEMBL265064 0.73 HRH3 (0.55) ALDH1A1CHRNA7KDM4EL3MBTL1NPC1
SCHEMBL6369704 0.72 NQO2 (0.47) ALDH1A1
SCHEMBL10557404 0.71 ALDH1A1 (0.74) ALDH1A1KDM4EL3MBTL1RAB9AMEN1

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 575/4885CHRNA7 410/4885GAA 3773/4885

“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.