SCHEMBL17594441

SCHEMBL17594441

O=C(O)c1noc(C2CC2)c1I

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMURF2 Q9HAU4 1/20 0.36
SMURF1 Q9HCE7 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PTPN1 P18031 1/20 0.32
RIPK1 Q13546 1/20 0.30

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
SCHEMBL19064399 0.77 NPC1 (0.40)
SCHEMBL19064398 0.77 NPC1 (0.40)
SCHEMBL16571467 0.74 GRIA1 (0.42) SMURF2SMURF1HCAR2GRIA1GRIA3
SCHEMBL19079160 0.73 SMYD3 (0.53)
SCHEMBL26103324 0.71 GRIA1 (0.40) SMURF2SMURF1HCAR2GRIA1GRIA3
SCHEMBL26469283 0.71 SMURF2 (0.35) SMURF2SMURF1HCAR2GRIA1GRIA3
SCHEMBL21998689 0.70 SCD (0.30)
SCHEMBL22609288 0.68 GRIA1 (0.46) SMURF2SMURF1HCAR2GRIA1GRIA3
SCHEMBL19079591 0.68 SMN1; SMN2 (0.42)
SCHEMBL1225982 0.67 S1PR3 (0.37) SMURF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
EP-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO 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 (3 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-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 SMURF2 15/4885SMURF1 47/4885HCAR2 1200/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 SMURF2 15/4885SMURF1 47/4885HCAR2 1200/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 SMURF2 20/4885SMURF1 40/4885HCAR2 1315/4885

“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.