SCHEMBL9980478

SCHEMBL9980478

C[Si](C)(C)CCOCn1cc(Br)nc1C(=O)O.[LiH]

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.42
KLKB1 P03952 1/20 0.38
NPC1 O15118 1/20 0.32

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
SCHEMBL12382031 0.99 DGAT1 (0.43) DGAT1KLKB1NPC1
SCHEMBL17810199 0.86 DGAT1 (0.42) DGAT1KLKB1NPC1
SCHEMBL14804569 0.85 DGAT1 (0.39) DGAT1KLKB1NPC1
Potassium Ion SCHEMBL1859376 0.85 DGAT1 (0.41) DGAT1KLKB1NPC1
Lithium Ion SCHEMBL9980476 0.85 DGAT1 (0.41) DGAT1KLKB1NPC1
SCHEMBL17810203 0.84 DGAT1 (0.41) DGAT1KLKB1NPC1
SCHEMBL31305687 0.84 DGAT1 (0.41) DGAT1KLKB1NPC1
SCHEMBL1858664 0.83 DGAT1 (0.42) DGAT1KLKB1
SCHEMBL12382013 0.82 DGAT1 (0.45) DGAT1KLKB1NPC1
SCHEMBL3083653 0.80 DGAT1 (0.39) DGAT1KLKB1NPC1

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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-27 US disclosed
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
EP-2627650-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck Sharp & Dohme Corp. (US) 2013-08-21 EP disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 US disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 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 (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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 DGAT1 1479/4885KLKB1 1/4885NPC1 1294/4885
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 DGAT1 2472/4885KLKB1 2914/4885NPC1 2458/4885

“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.