SCHEMBL2318384

SCHEMBL2318384

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(CC(=O)NC2CCCc3ccccc32)c1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.65
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.46
BIRC3 Q13489 5/20 0.46
BIRC2 Q13490 5/20 0.46
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2318389 1.00 XIAP (0.65) XIAPHPGDTSHRKMT2ABIRC3
SCHEMBL2319796 0.94 XIAP (0.67) XIAPHPGDTSHRKMT2ABIRC3
SCHEMBL2319791 0.94 XIAP (0.67) XIAPHPGDTSHRKMT2ABIRC3
SCHEMBL2318949 0.91 XIAP (0.56) XIAPHPGDTSHRKMT2ADHODH
SCHEMBL2318958 0.91 XIAP (0.56) XIAPHPGDTSHRKMT2ADHODH
SCHEMBL2212223 0.89 XIAP (0.61) XIAPHPGDTSHRKMT2ABIRC3
SCHEMBL2211890 0.89 XIAP (0.61) XIAPHPGDTSHRKMT2ABIRC3
SCHEMBL2316174 0.88 XIAP (0.53) XIAPBIRC3BIRC2DHODH
SCHEMBL2316166 0.88 XIAP (0.53) XIAPBIRC3BIRC2DHODH
SCHEMBL2358625 0.87 XIAP (0.57) XIAPHPGDTSHRKMT2ABIRC3

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 8 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
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
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 XIAP 1/4885HPGD 2185/4885TSHR 4844/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 XIAP 1/4885HPGD 2193/4885TSHR 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.