SCHEMBL3417352

SCHEMBL3417352

CCc1nc(C(=O)O)c2n1-c1ccc(C#C[Si](C)(C)C)cc1C(c1ccccn1)=NC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 15/20 0.53
GABRG2 P18507 13/20 0.53
GABRB3 P28472 13/20 0.53
GABRA1 P14867 11/20 0.50
GABRA5 P31644 10/20 0.50
GABRA2 P47869 10/20 0.46
GABRB2 P47870 3/20 0.45
CYP1A2 P05177 1/20 0.40
GABRA6 Q16445 4/20 0.39
GABRA4 P48169 2/20 0.39
PTAFR P25105 1/20 0.36

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
SCHEMBL3417353 0.89 GABRA3 (0.67) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL3415181 0.85 GABRA3 (0.56) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL2842188 0.78 GABRG2 (0.81) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL3139904 0.78 GABRA1 (0.47) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL19368389 0.76 GABRA3 (0.65) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL2840548 0.75 GABRA1 (0.56) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL18096788 0.75 GABRA3 (0.61) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL7308306 0.75 GABRA3 (0.62) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL2845678 0.74 GABRA3 (0.74) GABRA3GABRG2GABRB3GABRA1GABRA5
SCHEMBL13061667 0.69 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA1GABRA5

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-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 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-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA3 5/4885GABRG2 11/4885GABRB3 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.