SCHEMBL12757272

SCHEMBL12757272

O=C1C=C(O)C(=O)C(CCc2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)=C1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 5/20 0.55
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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 0.85 XIAP (0.63) XIAPNPC1RAB9AMEN1KMT2A
SCHEMBL12757270 0.84 XIAP (0.68) XIAPNPC1RAB9AMEN1KMT2A
SCHEMBL12757271 0.78 XIAP (0.59) XIAPNPC1RAB9AMEN1KMT2A
SCHEMBL7969220 0.77 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12757269 0.74 XIAP (0.61) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL12757284 0.74 XIAP (0.77) XIAPMEN1KMT2AMAPTKDM4E
SCHEMBL12757286 0.73 XIAP (0.80) XIAPMEN1KMT2AMAPTKDM4E
SCHEMBL12757282 0.72 XIAP (1.00) XIAPMEN1KMT2AMAPTKDM4E
SCHEMBL14302225 0.69 SMN1; SMN2 (0.48) XIAPNPC1RAB9AMEN1KMT2A
SCHEMBL12757265 0.69 XIAP (1.00) XIAPMEN1KMT2AMAPTKDM4E

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 1/4885NPC1 2027/4885RAB9A 3118/4885

“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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