SCHEMBL4474052

SCHEMBL4474052

C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3312523 0.84 RIPK1 (0.32)
SCHEMBL375444 0.83 ALDH1A1 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL817959 0.83 CHRM2 (0.36) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL7327622 0.83 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL12979137 0.83 ALDH1A1 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL24411299 0.83 ALDH1A1 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL6095020 0.83 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2023504 0.83 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL144302 0.83 ALDH1A1 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2023499 0.83 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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 (2 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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R PIK3CD 2464/4885CHRM2 189/4885CHRM1 163/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R PIK3CD 4141/4885CHRM2 79/4885CHRM1 51/4885

“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.