SCHEMBL5506979

SCHEMBL5506979

COc1cccc2onc(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
NQO1 P15559 1/20 0.45
MAOA P21397 2/20 0.44
EDNRA P25101 1/20 0.44
ESR1 P03372 1/20 0.43
KDM5A P29375 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 4/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL10583963 0.80 KCNA5 (0.48) KCNA5NQO1MAOAEDNRAESR1
SCHEMBL6886413 0.80 KCNA5 (0.48) KCNA5NQO1MAOAEDNRAALDH1A1
SCHEMBL6196491 0.79 KCNA5 (0.47) KCNA5NQO1MAOAEDNRAALDH1A1
SCHEMBL1781983 0.79 KDR (0.50) KCNA5MAOAEDNRAALDH1A1MAPT
SCHEMBL5115854 0.78 HTR4 (0.47) KCNA5LMNAMEN1KMT2AHIF1A
SCHEMBL21232730 0.77 HIF1A (0.49) KCNA5NQO1MAOAEDNRAESR1
SCHEMBL1782414 0.76 KCNA5 (0.58) KCNA5NQO1MAOASGMS1SGMS2
SCHEMBL19718852 0.76 KCNA5 (0.45) KCNA5NQO1MAOAEDNRAESR1
SCHEMBL5510415 0.75 KCNA5 (0.44) KCNA5MAOAESR1ESR2ALDH1A1
SCHEMBL5126576 0.74 SGMS2 (0.55) EDNRAMAPTMAPK1SGMS1SGMS2

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 11 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
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP 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 KCNA5 196/4885NQO1 524/4885MAOA 645/4885

“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.