SCHEMBL1908526

SCHEMBL1908526

C[Si](C)(C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 4/20 0.48
NOS1 P29475 8/20 0.44
NOS2 P35228 8/20 0.44
NOS3 P29474 6/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
NCF1 P14598 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
MGAM O43451 1/20 0.40
CDK8 P49336 1/20 0.38
ACHE P22303 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
SCHEMBL7160970 0.83 TAAR1 (0.57) LOXL2NOS1SMN1; SMN2CYP3A4NFKB1
SCHEMBL15981410 0.83 ENPP2 (0.50) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27938953 0.83 PNMT (0.45) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL1908544 0.80 CYP1A2 (0.45) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL7162484 0.78 TRPA1 (0.42) ALDH1A1MGAMACHE
SCHEMBL8861632 0.78 MGAM (0.47) ENPP2NOS1NOS2NOS3MGAM
SCHEMBL27608831 0.78 LOXL2 (0.46) PNMTENPP2LOXL2NOS1NOS2
Methylamine SCHEMBL28040876 0.77 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2
Bromide SCHEMBL8345607 0.77 MGAM (0.39) MGAMACHE
SCHEMBL5470508 0.77 HRH3 (0.50) LOXL2NOS1NOS2NOS3

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-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 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-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP PNMT 1712/4885ENPP2 1482/4885LOXL2 2923/4885

“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.