SCHEMBL535734

SCHEMBL535734

O=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccccn3)noc2CO)nc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.80
ITGA5 P08648 5/20 0.80
GABRA1 P14867 3/20 0.61

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
SCHEMBL535736 0.96 GABRA5 (0.74) GABRA5ITGA5GABRA1
SCHEMBL2929515 0.89 GABRA5 (1.00) GABRA5ITGA5GABRA1
SCHEMBL535756 0.85 GABRA5 (0.61) GABRA5ITGA5
SCHEMBL535905 0.84 GABRA5 (0.80) GABRA5ITGA5GABRA1
SCHEMBL2929700 0.84 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL535843 0.83 GABRA5 (0.80) GABRA5ITGA5
SCHEMBL2924150 0.82 GABRA5 (1.00) GABRA5ITGA5GABRA1
SCHEMBL535859 0.82 GABRA5 (0.79) GABRA5ITGA5
SCHEMBL535913 0.82 GABRA5 (0.76) GABRA5ITGA5
SCHEMBL536244 0.82 GABRA5 (0.81) GABRA5ITGA5GABRA1

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 17 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 claimed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP claimed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO claimed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US claimed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
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
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US 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
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
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US 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 (2 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 1/4885ITGA5 152/4885GABRA1 2/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885ITGA5 2402/4885GABRA1 16/4885

“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.