SCHEMBL1246532

SCHEMBL1246532

CNc1ccc(C=Cc2cc[n+](C(=O)CC[C@H](N)C(=O)O)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.40
LTA4H P09960 6/20 0.38
APP P05067 4/20 0.37
RAD52 P43351 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
NSD2 O96028 2/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1246908 0.87 CHAT (0.42) CHATAPPRAD52MEN1NPC1
SCHEMBL1245828 0.79 CHAT (0.53) CHATLTA4HAPPRAD52MEN1
SCHEMBL1245824 0.77 BACE1 (0.46) CHATAPPRAD52MEN1NPC1
SCHEMBL16144030 0.77 KDM4E (0.37) CHATAPPRAD52MEN1NPC1
Iodide SCHEMBL3707094 0.76 KDM4E (0.37) CHATAPPRAD52MEN1NPC1
SCHEMBL1245684 0.75 CHAT (0.53) CHATLTA4HAPPRAD52MEN1
SCHEMBL18349245 0.74 HTT (0.49) CHATAPPRAD52MEN1NPC1
Hydrochloric Acid SCHEMBL1244753 0.71 CHAT (0.53) CHATLTA4HAPPRAD52MEN1
SCHEMBL19860018 0.71 HTT (0.48) CHATAPPRAD52MEN1NPC1
SCHEMBL1245827 0.71 LTA4H (0.48) CHATLTA4HRAD52MEN1NPC1

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-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US disclosed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 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-20120122135-A1 Novel Peptidase Substrates CPN1, CTRL, ANPEP CHAT 1696/4885LTA4H 177/4885APP 586/4885

“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.