SCHEMBL7797546

SCHEMBL7797546

Cc1onc(-c2ccccn2)c1COc1coc(C(=O)NN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.52
ITGA5 P08648 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MDM2 Q00987 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2673249 0.88 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL7802092 0.83 GABRA5 (0.50) GABRA5ITGA5SMN1; SMN2POLBMDM2
SCHEMBL7800780 0.83 GABRA5 (0.55) GABRA5ITGA5SMN1; SMN2LMNA
SCHEMBL15252300 0.78 GABRA5 (0.56) GABRA5ITGA5
SCHEMBL2672736 0.75 GABRA5 (0.71) GABRA5ITGA5
SCHEMBL2672866 0.75 GABRA5 (0.70) GABRA5ITGA5
SCHEMBL2673050 0.75 GABRA5 (0.73) GABRA5ITGA5
SCHEMBL2673286 0.75 GABRA5 (0.58) GABRA5
SCHEMBL2673773 0.74 GABRA5 (0.58) GABRA5ITGA5POLB
SCHEMBL7802081 0.74 GABRA5 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ITGA5 175/4885SMN1; SMN2 2381/4885

“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.