SCHEMBL5511899

SCHEMBL5511899

Cc1cc2onc(O)c2cc1I

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.39
▸ ESR2 Q92731 6/20 0.39
▸ BRD4 O60885 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL11443734 0.84 ESR1 (0.43) ESR1ESR2BRD4HSP90AA1
SCHEMBL5514165 0.79 ESR1 (0.40) ESR1ESR2BRD4HSP90AA1
SCHEMBL5506253 0.78 ESR1 (0.39) ESR1ESR2BRD4HSP90AA1
SCHEMBL1759343 0.69 MAPT (0.54) ESR1ESR2
SCHEMBL1101176 0.69 ESR1 (0.45) ESR1ESR2HSP90AA1
SCHEMBL5511923 0.69 ESR1 (0.42) ESR1ESR2HSP90AA1
SCHEMBL5511697 0.68 ESR1 (0.41) ESR1ESR2HSP90AA1
SCHEMBL5509963 0.68 AHR (0.44) ESR1ESR2HSP90AA1
SCHEMBL5508112 0.64 ESR1 (0.63) ESR1ESR2HSP90AA1
SCHEMBL2137945 0.64 ESR1 (0.61) ESR1ESR2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 — — US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 — — US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 — — US disclosed
EP-1711478-A2 BENZO [D]ISOXAZOL-3-OL DAAO INHIBITORS Sepracor Inc. (US) 2006-10-18 — — EP disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 — — WO disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 — — WO disclosed
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 — — 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-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors DDO, DAO, CACNA1S ESR1 2250/4885ESR2 3052/4885BRD4 799/4885

“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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