SCHEMBL14736241

SCHEMBL14736241

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
PTGES O14684 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL14262389 0.77 HTT (0.44) TP53HTTNPSR1LMNAPTGES
SCHEMBL1930172 0.75 NPSR1 (0.43) TP53HTTNPSR1LMNAPTGES
SCHEMBL14735948 0.73 PTGES (0.42) TP53HTTNPSR1LMNAPTGES
SCHEMBL21228644 0.72 HTT (0.41) TP53HTTNPSR1LMNAPTGES
SCHEMBL14736718 0.72 NPC1 (0.50) TP53HTTNPSR1LMNAPTGES
SCHEMBL17195505 0.71 PTGES (0.49) TP53HTTLMNAPTGESCYP1A2
SCHEMBL840930 0.69 NPSR1 (0.41) TP53HTTNPSR1CYP1A2SMN1; SMN2
SCHEMBL14262396 0.69 NPC1 (0.53) HTTPTGESCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL1930001 0.67 ALDH1A1 (0.48) TP53HTTNPSR1LMNAPTGES
SCHEMBL9915126 0.66 HTT (0.47) TP53HTTNPSR1LMNAPTGES

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 TP53 4640/4885HTT 3082/4885NPSR1 321/4885

“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.