SCHEMBL2316482

SCHEMBL2316482

CN[C@@H](C)C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)NCCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.52
IL1B P01584 2/20 0.52
ELANE P08246 2/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
CTRC Q99895 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
XIAP P98170 1/20 0.43
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
SCHEMBL2316492 1.00 CASP1 (0.52) CASP1IL1BELANEMAPTTP53
SCHEMBL2317237 0.91 CASP1 (0.54) CASP1IL1BELANEMAPTTP53
SCHEMBL2317231 0.91 CASP1 (0.54) CASP1IL1BELANEMAPTTP53
SCHEMBL2321803 0.89 F2 (0.52) CASP1ELANEMAPTTP53RXFP1
SCHEMBL1329939 0.87 ELANE (0.52) CASP1IL1BELANEMAPTTP53
SCHEMBL1329937 0.87 ELANE (0.52) CASP1IL1BELANEMAPTTP53
SCHEMBL2317041 0.82 XIAP (0.63) CASP1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2317036 0.82 XIAP (0.63) CASP1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2318569 0.81 MAPT (0.45) MAPTTP53RXFP1SMN1; SMN2POLB
SCHEMBL12127800 0.81 MAPT (0.45) MAPTTP53RXFP1SMN1; SMN2POLB

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
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
EP-1902065-A2 CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE Novartis AG (CH) 2008-03-26 EP claimed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US 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 (2 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 CASP1 43/4885IL1B 3546/4885ELANE 2303/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 CASP1 43/4885IL1B 3541/4885ELANE 2307/4885

“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.