SCHEMBL15545409

SCHEMBL15545409

C[n+]1ccn(CCNc2ccc(N)cc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PRSS1 P07477 10/20 0.33
HDAC6 Q9UBN7 1/20 0.32
NQO2 P16083 3/20 0.32
LMNA P02545 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL15545971 0.92 MEN1 (0.34) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15545048 0.92 MAPT (0.41) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15546246 0.89 PTGER4 (0.36) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15545544 0.87 MEN1 (0.37) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL5157396 0.83 MAPT (0.39) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL6271312 0.82 MAPT (0.38) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2930426 0.81 MAPT (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2926193 0.80 MEN1 (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL5477140 0.80 MAPT (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL14785400 0.79 SMN1; SMN2 (0.35) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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 SMN1; SMN2 3482/4885MEN1 293/4885APAF1 3673/4885

“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.