SCHEMBL30326080

SCHEMBL30326080

CSc1ncc(Cn2cc(NC(=O)OC(C)(C)C)cn2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ SCD O00767 2/20 0.44
▸ AR P10275 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TAS2R8 Q9NYW2 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL28988144 1.00 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDAR
SCHEMBL30389019 0.86 ALDH1A1 (0.45) ALDH1A1MAPTTAS2R8HPGDRAB9A
SCHEMBL30325997 0.84 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31412439 0.81 HDAC3 (0.46) HDAC3HDAC8NCOR2SCDAR
SCHEMBL30326108 0.76 HDAC3 (0.41) HDAC3HDAC8NCOR2SCDAR
SCHEMBL1279054 0.72 TAS2R8 (0.65) TAS2R8
SCHEMBL29483796 0.72 HDAC3 (0.55) HDAC3HDAC8NCOR2SCDAR
SCHEMBL30697025 0.71 HDAC3 (0.50) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319588 0.70 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319580 0.70 AR (0.56) HDAC3HDAC8NCOR2SCDAR

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
US-12459927-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2025-11-04 — — US disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 — — US disclosed
EP-4164634-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-19 — — EP 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-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 HDAC3 2680/4885HDAC8 1818/4885NCOR2 3111/4885
US-12459927-B2 Plasma kallikrein inhibitors KLKB1, SERPINE1, KLK5 HDAC3 2680/4885HDAC8 1818/4885NCOR2 3111/4885

“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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