SCHEMBL2319796

SCHEMBL2319796

CNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC2CCCc3ccccc32)c1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 15/20 0.67
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
BIRC3 Q13489 6/20 0.48
BIRC2 Q13490 6/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2319791 1.00 XIAP (0.67) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2318389 0.94 XIAP (0.65) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2318384 0.94 XIAP (0.65) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL18494245 0.88 XIAP (0.62) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2209986 0.88 XIAP (0.62) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2209958 0.88 XIAP (0.62) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL14174381 0.86 XIAP (0.58) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2213541 0.86 XIAP (0.58) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2213538 0.86 XIAP (0.58) XIAPHPGDTSHRBIRC3BIRC2
SCHEMBL2318958 0.86 XIAP (0.56) XIAPHPGDTSHRKMT2AALDH1A1

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 4 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

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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 XIAP 1/4885HPGD 2185/4885TSHR 4844/4885

“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.