SCHEMBL1245828

SCHEMBL1245828

C[n+]1ccc(C=Cc2ccc(NC(=O)CC[C@H](N)C(=O)O)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.53
LTA4H P09960 14/20 0.53
APP P05067 1/20 0.48
RAD52 P43351 2/20 0.47
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL1244753 0.89 CHAT (0.53) CHATLTA4HAPPRAD52PKM
SCHEMBL1245684 0.86 CHAT (0.53) CHATLTA4HAPPRAD52PKM
SCHEMBL1245835 0.84 CHAT (0.59) CHATLTA4HAPPRAD52PKM
Hydrochloric Acid SCHEMBL1246670 0.83 CHAT (0.57) CHATLTA4HAPPRAD52PKM
Hydrochloric Acid SCHEMBL1246932 0.81 CHAT (0.53) CHATLTA4HAPPRAD52PKM
SCHEMBL1245863 0.81 CHAT (0.57) CHATLTA4HAPPRAD52PKM
SCHEMBL1245825 0.80 CHAT (0.49) CHATAPPRAD52PKMHTT
Hydrochloric Acid SCHEMBL1244769 0.80 CHAT (0.51) CHATAPPRAD52PKMHTT
Hydrochloric Acid SCHEMBL1246891 0.79 CHAT (0.55) CHATAPPRAD52PKMHTT
SCHEMBL1246532 0.79 CHAT (0.40) CHATLTA4HAPPRAD52PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP claimed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US claimed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US claimed
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.