SCHEMBL12757268

SCHEMBL12757268

Cc1ccc(NC(=O)c2cccc(CCC3=C(O)C(=O)C=C(O)C3=O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 5/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ TP53 P04637 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ MAP1LC3A Q9H492 1/20 0.41

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
SCHEMBL12757270 0.91 XIAP (0.68) XIAPNPC1RAB9ATP53KDM4E
SCHEMBL12757269 0.86 XIAP (0.61) XIAPTP53TSHRMAPTMEN1
SCHEMBL12757272 0.85 XIAP (0.55) XIAPSMN1; SMN2NPC1RAB9ATP53
SCHEMBL12757271 0.84 XIAP (0.59) XIAPNPC1RAB9AMAPTMEN1
SCHEMBL14302225 0.84 SMN1; SMN2 (0.48) XIAPSMN1; SMN2NPC1RAB9ATP53
SCHEMBL12757264 0.81 XIAP (0.82) XIAPTP53KDM4EMAPTMEN1
SCHEMBL12757265 0.78 XIAP (1.00) XIAPTP53KDM4EMAPTMEN1
SCHEMBL1696476 0.76 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL15676754 0.74 NPC1 (0.61) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL12757282 0.74 XIAP (1.00) XIAPTP53KDM4EMAPTMEN1

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-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 — — US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 — — 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-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 XIAP 1/4885SMN1; SMN2 2954/4885NPC1 2027/4885

“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.

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