SCHEMBL10048540

SCHEMBL10048540

C[Si](C)(C)Oc1nccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.47
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
FEN1 P39748 14/20 0.38
ALOX5AP P20292 12/20 0.38
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL331710 0.78
SCHEMBL30842078 0.78
SCHEMBL1376899 0.77 NUDT1 (0.32)
SCHEMBL10017439 0.77 EDNRB (0.37) FEN1ALOX5APMEN1KMT2ARXRA
SCHEMBL21037437 0.76
SCHEMBL11076895 0.75 SCN9A (0.47) SCN9ANOS3NOS1NOS2FEN1
SCHEMBL8958798 0.75 SCN9A (0.33) SCN9ARXRAGRIN1GRIN2B
SCHEMBL19073173 0.75 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL12603734 0.75
SCHEMBL14880201 0.73 SCN9A (0.46) SCN9ANOS3NOS1NOS2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017077552-A1 PROCESS FOR THE PREPARATION OF SOFOSBUVIR MYLAN LABORATORIES LIMITED (IN) 2017-05-11 WO disclosed
US-8193339-B2 Synthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2012-06-05 US disclosed
US-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORPORATION (TW) 2009-05-14 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-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES DUT, DCTD, UMPS SCN9A 1273/4885NOS3 3183/4885NOS1 2215/4885

“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.