SCHEMBL535794

SCHEMBL535794

O=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.76
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53

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
SCHEMBL535755 0.89 GABRA5 (0.76) GABRA5
SCHEMBL535831 0.89 GABRA5 (0.60) GABRA5GABRA1
SCHEMBL535749 0.89 GABRA5 (0.78) GABRA5
SCHEMBL535766 0.88 GABRA5 (0.76) GABRA5
SCHEMBL535911 0.86 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL2922234 0.86 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL535960 0.85 GABRA5 (0.78) GABRA5
SCHEMBL535760 0.85 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL20778812 0.84 GABRA5 (0.74) GABRA5
SCHEMBL535828 0.84 GABRA5 (0.68) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 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-20100256127-A1 SUBSTITUTED ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885GABRG2 18/4885

“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.