SCHEMBL2133261

SCHEMBL2133261

CC(C)(C)OC(=O)N(c1ccc(C#C[Si](C)(C)C)cc1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.39
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRA4 P48169 3/20 0.35
GABRB2 P47870 1/20 0.34
MT-CO2 P00403 1/20 0.31
PAX8 Q06710 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
P2RY6 Q15077 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL2138873 0.80 GABRA1 (0.42) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL6880352 0.77 MT-CO2 (0.46) MT-CO2
SCHEMBL248463 0.77 ALDH1A1 (0.41) PAX8
SCHEMBL20163048 0.72 USP30 (0.42)
SCHEMBL9805558 0.71 GABRA1 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL979761 0.71 MAPT (0.49)
SCHEMBL17091111 0.71 GABRA5 (0.39) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL26932077 0.71 GABRA5 (0.39) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20163123 0.71 TRPV1 (0.40) PAX8
SCHEMBL7112682 0.70 KCNH2 (0.41)

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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 GABRA5 1580/4885GABRA1 1410/4885GABRG2 1602/4885

“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.