SCHEMBL2321803

SCHEMBL2321803

CNC(C)C(=O)Nc1ccc(C)n(CC(=O)NCCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.52
PRSS1 P07477 6/20 0.52
CASP1 P29466 1/20 0.51
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44

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 0.89 CASP1 (0.52) CASP1MAPTTP53RXFP1ELANE
SCHEMBL2316482 0.89 CASP1 (0.52) CASP1MAPTTP53RXFP1ELANE
SCHEMBL1329937 0.88 ELANE (0.52) CASP1MAPTTP53RXFP1ELANE
SCHEMBL1329939 0.88 ELANE (0.52) CASP1MAPTTP53RXFP1ELANE
SCHEMBL2317237 0.85 CASP1 (0.54) CASP1MAPTTP53RXFP1ELANE
SCHEMBL2317231 0.85 CASP1 (0.54) CASP1MAPTTP53RXFP1ELANE
SCHEMBL12127800 0.84 MAPT (0.45) MAPTTP53RXFP1SMN1; SMN2MAPK1
SCHEMBL2318569 0.84 MAPT (0.45) MAPTTP53RXFP1SMN1; SMN2MAPK1
SCHEMBL2317041 0.82 XIAP (0.63) CASP1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2317036 0.82 XIAP (0.63) CASP1MAPTTP53RXFP1SMN1; SMN2

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 F2 3659/4885PRSS1 3383/4885CASP1 43/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 F2 3657/4885PRSS1 3380/4885CASP1 43/4885

“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.