SCHEMBL14302225

SCHEMBL14302225

Cc1ccc(NC(=O)c2cccc(C(=O)CC3=C(O)C(=O)C=C(O)C3=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ THRB P10828 1/20 0.47
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ TP53 P04637 5/20 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 4/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ XIAP P98170 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KCNK3 O14649 1/20 0.40

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
SCHEMBL12757268 0.84 XIAP (0.63) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL12757270 0.74 XIAP (0.68) THRBNPC1RAB9ATP53KDM4E
SCHEMBL12757269 0.70 XIAP (0.61) TP53TSHRMAPTMEN1KMT2A
SCHEMBL10199571 0.70 NPC1 (0.67) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL18027783 0.70 NPC1 (0.71) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL903576 0.70 MEN1 (0.75) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL4257440 0.70 NPC1 (0.81) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL30048093 0.70 NPC1 (0.81) SMN1; SMN2THRBNPC1RAB9ATP53
SCHEMBL12757272 0.69 XIAP (0.55) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7234090 0.69 NPC1 (0.65) SMN1; SMN2THRBNPC1RAB9ATP53

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-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 SMN1; SMN2 2954/4885THRB 4269/4885NPC1 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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