SCHEMBL1246597

SCHEMBL1246597

C[C@H](N)C(=O)Nc1ccc(C=Cc2cc(-c3ccccn3)nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP2C9 P11712 3/20 0.50
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
LMNA P02545 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1246900 0.81 ALDH1A1 (0.56) CYP2C9KDM4ENPSR1MAPK1TAAR1
SCHEMBL5278210 0.78 TAAR1 (0.53) KDM4ENPSR1TAAR1LMNAALDH1A1
SCHEMBL1226543 0.73 NQO2 (0.59) KDM4ENPSR1MAPK1LMNARXFP1
SCHEMBL1244922 0.71 ALOX5 (0.61) CYP3A4KDM4ENPSR1TDP1TAAR1
SCHEMBL1246644 0.71 MAPT (0.54) KDM4EMAPK1TAAR1LMNARXFP1
D-Alanine SCHEMBL1246484 0.70 ALDH1A1 (0.55) CYP2C9KDM4ENPSR1MAPK1LMNA
Alanine SCHEMBL1246935 0.70 ALDH1A1 (0.55) CYP2C9KDM4ENPSR1MAPK1LMNA
SCHEMBL1245863 0.70 CHAT (0.57) KDM4ENPSR1MAPK1TAAR1LMNA
SCHEMBL1244759 0.69 ATG4B (0.56) CYP2C9KDM4EMAPK1LMNAALDH1A1
SCHEMBL10964842 0.69 METAP1 (0.54) CYP3A4CYP2C9KDM4ENPSR1TDP1

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 CYP3A4 758/4885CYP2C9 1543/4885KDM4E 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.