SCHEMBL1759331

SCHEMBL1759331

Cc1cccc2c(OC(c3ccccc3)(c3ccccc3)c3ccccc3)noc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.41
CYP17A1 P05093 7/20 0.36
CYP1A2 P05177 2/20 0.34
SSTR4 P31391 3/20 0.34
MCL1 Q07820 1/20 0.33
CYP2A6 P11509 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNA5 P22460 1/20 0.31
TP53 P04637 1/20 0.31
SLC2A1 P11166 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL6961811 0.76 SMN1; SMN2 (0.46) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL13481196 0.71 CYP17A1 (0.50) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL5345134 0.70 CYP17A1 (0.49) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL5618398 0.70 CYP17A1 (0.49) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL8404486 0.69 SMN1; SMN2 (0.53) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
Hydrochloric Acid SCHEMBL6996249 0.69 CYP17A1 (0.48) SMN1; SMN2FFAR1CYP17A1SSTR4
SCHEMBL6987832 0.66 SMN1; SMN2 (0.54) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL1759529 0.66 SMN1; SMN2 (0.54) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4
SCHEMBL4572282 0.66 SMN1; SMN2 (0.50) SMN1; SMN2FFAR1CYP1A2SSTR4MCL1
SCHEMBL12946371 0.64 SMN1; SMN2 (0.47) SMN1; SMN2FFAR1CYP17A1CYP1A2SSTR4

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 2 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

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-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL SMN1; SMN2 1624/4885FFAR1 2040/4885CYP17A1 89/4885

“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.