SCHEMBL2672741

SCHEMBL2672741

Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NN2CCCC2)on1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.58

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
SCHEMBL2673672 0.99 GABRA5 (0.59) GABRA5
SCHEMBL2673346 0.93 GABRA5 (0.60) GABRA5
SCHEMBL2673632 0.88 GABRA5 (0.57) GABRA5
SCHEMBL2672773 0.87 GABRA5 (0.56) GABRA5
SCHEMBL15252428 0.86 GABRA5 (0.56) GABRA5
SCHEMBL15252397 0.85 GABRA5 (0.56) GABRA5
SCHEMBL2673342 0.85 GABRA5 (0.71) GABRA5
SCHEMBL110035 0.85 GABRA5 (0.75) GABRA5
SCHEMBL106221 0.84 GABRA5 (0.75) GABRA5
SCHEMBL2672791 0.82 GABRA5 (0.64) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398782-B1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP claimed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US claimed
EP-2398782-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US claimed
EP-2398782-B1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
EP-2398782-B1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
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-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
EP-2398782-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 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-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885

“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.