SCHEMBL818170

SCHEMBL818170

CNC(C)C(=O)NC(C(=O)N1CCC(OC(C)=O)C1Cc1c[nH]c2ncccc12)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.41
CASP9 P55211 1/20 0.41
CYP3A4 P08684 6/20 0.38
BIRC2 Q13490 8/20 0.38
BIRC3 Q13489 4/20 0.38
CYP2C9 P11712 2/20 0.38
MTNR1A P48039 1/20 0.37
CYP2C19 P33261 1/20 0.37
TNF P01375 2/20 0.36

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
SCHEMBL823086 1.00 XIAP (0.41) XIAPCASP9CYP3A4BIRC2BIRC3
SCHEMBL820264 0.92 MTNR1A (0.41) CYP3A4CYP2C9MTNR1A
SCHEMBL820272 0.90 MTNR1A (0.37) XIAPCASP9CYP3A4CYP2C9MTNR1A
SCHEMBL817999 0.90 MTNR1A (0.34) XIAPCASP9CYP3A4BIRC2BIRC3
SCHEMBL819268 0.88 BIRC2 (0.38) XIAPCASP9CYP3A4BIRC2BIRC3
SCHEMBL823089 0.88 BIRC2 (0.38) XIAPCASP9CYP3A4BIRC2BIRC3
SCHEMBL819921 0.88 MTNR1A (0.38) MTNR1A
SCHEMBL823066 0.88 MTNR1A (0.38) MTNR1A
SCHEMBL823087 0.87 XIAP (0.36) XIAPCASP9CYP3A4BIRC2BIRC3
SCHEMBL818000 0.87 XIAP (0.36) XIAPCASP9CYP3A4BIRC2BIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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 (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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 XIAP 1/4885CASP9 31/4885CYP3A4 4692/4885

“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.