SCHEMBL1759529

SCHEMBL1759529

Cc1cccc2c(O)noc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SSTR4 P31391 4/20 0.39
FFAR1 O14842 1/20 0.37
TRPA1 O75762 2/20 0.35
ATM Q13315 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP17A1 P05093 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 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
SCHEMBL8404486 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1
SCHEMBL5512114 0.79 MAOA (0.39) SMN1; SMN2CYP1A2ALDH1A1ESR2MAPT
SCHEMBL5508117 0.76 CHRNA7 (0.41) CYP1A2CYP2A6SSTR4
SCHEMBL6987832 0.76 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1
SCHEMBL5511858 0.76 SSTR4 (0.39) SMN1; SMN2SSTR4NPC1RAB9A
SCHEMBL4572282 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1
SCHEMBL5505851 0.76 ALDH1A1 (0.47) SMN1; SMN2CYP1A2CYP2A6ALDH1A1ESR2
SCHEMBL24663489 0.74 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1
SCHEMBL12426067 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1
SCHEMBL12946371 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2A6MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 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
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO 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
US-3970665-A INSECTICIDE, MITICIDE, NEMATOCIDE, FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 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 (4 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-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL SMN1; SMN2 1624/4885CYP1A2 129/4885CYP2A6 412/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SMN1; SMN2 590/4885CYP1A2 790/4885CYP2A6 923/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SMN1; SMN2 590/4885CYP1A2 790/4885CYP2A6 923/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SMN1; SMN2 590/4885CYP1A2 790/4885CYP2A6 923/4885

“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.