SCHEMBL13871097

SCHEMBL13871097

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)O)c2F)nc2c(O)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ PPARG P37231 4/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ PTGER4 P35408 1/20 0.30

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
SCHEMBL13870973 0.92 NPC1 (0.37) NPC1DGAT1
SCHEMBL14193452 0.89 NPC1 (0.37) NPC1DGAT1
SCHEMBL13866073 0.89 NPC1 (0.36) NPC1PPARGDGAT1
SCHEMBL5668182 0.82 NPC1 (0.43) NPC1PPARG
SCHEMBL13865949 0.81 NPC1 (0.35) NPC1DGAT1
SCHEMBL5669071 0.81 NPC1 (0.38) NPC1PPARGPTGER4
SCHEMBL14193600 0.77 NPC1 (0.36) NPC1
SCHEMBL5669493 0.76 NPC1 (0.39) NPC1
SCHEMBL13865952 0.75 NPC1 (0.34) NPC1PPARGDGAT1
SCHEMBL13866116 0.75 NPC1 (0.41) NPC1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 NPC1 1218/4885PPARG 2744/4885DGAT1 3570/4885

“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.

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