SCHEMBL1243579

SCHEMBL1243579

NCCC(=O)Nc1ccc(C=Cc2nc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
EPHX2 P34913 1/20 0.62
MAPT P10636 10/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 4/20 0.52
RAB9A P51151 4/20 0.51
APP P05067 1/20 0.51
INSR P06213 1/20 0.51
NCOA1 Q15788 1/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL1244922 0.81 ALOX5 (0.61) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL9514441 0.78 POLB (0.56) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL319385 0.78 MEN1 (0.77) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL29559249 0.78 MEN1 (0.77) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL319386 0.78 MEN1 (0.77) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL9515511 0.77 MAPT (0.53) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL9515519 0.77 MAPT (0.53) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL1244748 0.76 KDM4E (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2628252 0.76 MEN1 (0.66) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL27557266 0.76 MEN1 (0.66) ALOX5EPHX2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP claimed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 US claimed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP claimed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 US claimed
WO-2011012807-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO claimed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 US disclosed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 US disclosed
WO-2011012807-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-20120129203-A1 Novel Peptidase Substrates CTRL, CPB1, ANPEP ALOX5 568/4885EPHX2 624/4885MAPT 4876/4885

“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.