SCHEMBL1246527

SCHEMBL1246527

NCCC(=O)Nc1ccc(C=Cc2cc[n+](Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NSD2 O96028 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1245866 0.84 LTA4H (0.45) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1245827 0.83 LTA4H (0.48) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1246751 0.79 RAD52 (0.51) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1245835 0.75 CHAT (0.59) MAPTHTTKDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL1246670 0.74 CHAT (0.57) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1226170 0.74 RAB9A (0.52) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1245828 0.73 CHAT (0.53) MAPTHTTMEN1NPC1NSD2
SCHEMBL18349245 0.72 HTT (0.49) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1245851 0.72 ALDH1A1 (0.57) MAPTHTTKDM4EMEN1NPC1
SCHEMBL1246908 0.70 CHAT (0.42) MAPTHTTKDM4EMEN1NPC1

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 10 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
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP claimed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US claimed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO 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 MAPT 4874/4885HTT 3128/4885KDM4E 3975/4885

“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.