SCHEMBL1246900

SCHEMBL1246900

C[C@H](N)C(=O)Nc1ccc(C=Cc2ccnc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
ATG4B Q9Y4P1 1/20 0.52
CYP1A2 P05177 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NQO2 P16083 1/20 0.51
TAAR1 Q96RJ0 2/20 0.47
CIT O14578 1/20 0.44
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
Alanine SCHEMBL1246935 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
D-Alanine SCHEMBL1246484 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1244759 0.83 ATG4B (0.56) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1246597 0.81 CYP3A4 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1245838 0.81 ALDH1A1 (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1245851 0.81 ALDH1A1 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5278210 0.80 TAAR1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1245863 0.76 CHAT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
Beta-Alanine SCHEMBL1246610 0.76 ATG4B (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9582512 0.75 ALDH1A1 (0.63) ALDH1A1MAPTHPGDMEN1KMT2A

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 ALDH1A1 2722/4885MAPT 4874/4885HPGD 3312/4885

“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.