SCHEMBL7797644

SCHEMBL7797644

Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NC2CCOC2)on1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.77
GABRA1 P14867 3/20 0.61
ITGA5 P08648 1/20 0.60

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
SCHEMBL7797491 0.89 GABRA5 (0.71) GABRA5GABRA1ITGA5
SCHEMBL15252246 0.88 GABRA5 (0.69) GABRA5GABRA1ITGA5
SCHEMBL2930024 0.87 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL285852 0.86 GABRA5 (0.72) GABRA5GABRA1ITGA5
SCHEMBL285693 0.85 GABRA5 (0.71) GABRA5GABRA1ITGA5
SCHEMBL13067636 0.82 GABRA5 (0.72) GABRA5GABRA1ITGA5
SCHEMBL288205 0.82 GABRA5 (0.72) GABRA5GABRA1ITGA5
SCHEMBL2928005 0.82 GABRA5 (1.00) GABRA5GABRA1ITGA5
SCHEMBL2930330 0.81 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL286119 0.81 GABRA5 (0.72) GABRA5ITGA5

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 6 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 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
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

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-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885ITGA5 175/4885

“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.