SCHEMBL15545971

SCHEMBL15545971

C[n+]1ccn(CCNCCNc2ccc(N)cc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PRSS1 P07477 2/20 0.33

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
SCHEMBL15545409 0.92 SMN1; SMN2 (0.37) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL15545048 0.88 MAPT (0.41) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL15546246 0.84 PTGER4 (0.36) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL15545544 0.82 MEN1 (0.37) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL14793380 0.81 SMN1; SMN2 (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL9935932 0.79 MEN1 (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL5157396 0.77 MAPT (0.39) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2930426 0.77 MAPT (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL5477140 0.76 MAPT (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2926193 0.76 MEN1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1

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
US-9345653-B2 Dye composition comprising a cationic meta-phenylenediamine L'OREAL (FR) 2016-05-24 US claimed
US-20150143638-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2015-05-28 US claimed
EP-2867212-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'Oréal (FR) 2015-05-06 EP claimed
WO-2014005900-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2014-01-09 WO claimed
WO-2014005900-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2014-01-09 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 (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-20150143638-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE TYR, MAOA, CUTA MEN1 293/4885APAF1 3673/4885NPC1 1034/4885

“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.