SCHEMBL5509963

SCHEMBL5509963

Oc1noc2cc(Cl)c(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 9/20 0.44
▸ ESR1 P03372 7/20 0.41
▸ ESR2 Q92731 7/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ HTR3A P46098 2/20 0.38
▸ DAO P14920 1/20 0.35
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL5514165 0.86 ESR1 (0.40) ESR1ESR2HSP90AA1HTR3A
SCHEMBL5505902 0.84 ESR1 (0.37) AHRESR1ESR2HSP90AA1
SCHEMBL8290819 0.84 ESR1 (0.37) AHRESR1ESR2HSP90AA1
SCHEMBL5509193 0.84 ESR1 (0.37) AHRESR1ESR2HSP90AA1
SCHEMBL5513632 0.75 FAAH (0.49) AHRESR1ESR2HSP90AA1HTR3A
SCHEMBL1836503 0.75 ALDH1A1 (0.49) AHRESR1ESR2HSP90AA1HTR3A
SCHEMBL11443734 0.74 ESR1 (0.43) ESR1ESR2HSP90AA1
SCHEMBL5511697 0.74 ESR1 (0.41) ESR1ESR2HSP90AA1
SCHEMBL5508112 0.70 ESR1 (0.63) ESR1ESR2HSP90AA1HSD17B10
SCHEMBL2137945 0.70 ESR1 (0.61) ESR1ESR2HSP90AA1HSD17B10

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 AHR 2956/4885ESR1 2250/4885ESR2 3052/4885

“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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