SCHEMBL14736718

SCHEMBL14736718

COC(=O)c1nnn(C[Si](C)(C)C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGES O14684 6/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL14736717 0.90 LMNA (0.49) CYP1A2SMN1; SMN2PTGESLMNAGAA
SCHEMBL4142636 0.77 SMN1; SMN2 (0.71) CYP1A2SMN1; SMN2PTGESLMNAGAA
SCHEMBL10642193 0.76 LMNA (0.50) CYP1A2SMN1; SMN2PTGESLMNAGAA
SCHEMBL1930172 0.75 NPSR1 (0.43) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL21228674 0.73 NPC1 (0.56) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL14735948 0.73 PTGES (0.42) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL11351277 0.73 LMNA (0.48) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL14736241 0.72 TP53 (0.38) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL10666339 0.72 SMN1; SMN2 (0.54) NPC1CYP1A2SMN1; SMN2PTGESLMNA
SCHEMBL10668856 0.72 TP53 (0.52) CYP1A2SMN1; SMN2PTGESLMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A NPC1 2474/4885CYP1A2 556/4885SMN1; SMN2 1133/4885

“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.