SCHEMBL513694

SCHEMBL513694

Cc1cc(C[Si](C)(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
VHL P40337 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 1/20 0.39
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
EPHX2 P34913 2/20 0.36
PYCR1 P32322 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 2/20 0.35
GSTO1 P78417 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL805042 0.78
SCHEMBL933778 0.76
SCHEMBL15200484 0.76
SCHEMBL8868767 0.76
SCHEMBL1578634 0.76
SCHEMBL2093209 0.76
SCHEMBL19399866 0.76
SCHEMBL2093204 0.76
SCHEMBL22792608 0.76
SCHEMBL10475738 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943281-B Synthetic method and application of isoxazole pyrimidine derivative 深圳湾实验室 2023-08-15 CN disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
US-6022868-A TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM RELATED TO MALFUNCTIONING OF THE NICOTINIC CHOLINERGIC SYSTEM. NOVO NORDISK ALS (DK) 2000-02-08 US disclosed
EP-0842172-A1 NOVEL SUBSTITUTED AZACYCLIC OR AZABICYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-05-20 EP disclosed
WO-1997001556-A1 NOVEL SUBSTITUTED AZACYCLIC OR AZABICYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-01-16 WO 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 MEN1 483/4885KMT2A 3004/4885VHL 2103/4885

“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.