SCHEMBL5514165

SCHEMBL5514165

Cc1cc2onc(O)c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.40
▸ ESR2 Q92731 6/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CD44 P16070 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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 0.86 ESR1 (0.43) ESR1ESR2RAB9ANPC1HSP90AA1
SCHEMBL5509963 0.86 AHR (0.44) ESR1ESR2HSP90AA1HTR3A
SCHEMBL5506253 0.79 ESR1 (0.39) ESR1ESR2HSP90AA1BRD4
SCHEMBL5505902 0.79 ESR1 (0.37) ESR1ESR2HSP90AA1MCL1
SCHEMBL5511899 0.79 ESR1 (0.39) ESR1ESR2HSP90AA1BRD4
SCHEMBL16059744 0.77 CD44 (0.43) ESR1ESR2RAB9ANPC1POLB
SCHEMBL5509193 0.76 ESR1 (0.37) ESR1ESR2HSP90AA1MCL1CSNK2A1
SCHEMBL8290819 0.76 ESR1 (0.37) ESR1ESR2HSP90AA1
SCHEMBL1836503 0.71 ALDH1A1 (0.49) ESR1ESR2HSP90AA1ALDH1A1MCL1
SCHEMBL5513632 0.71 FAAH (0.49) ESR1ESR2HSP90AA1ALDH1A1SMN1; SMN2

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 3052/4885RAB9A 1599/4885

“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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