SCHEMBL29483796

SCHEMBL29483796

CC(C)(C)OC(=O)Nc1cnn(Cc2cnc(Cl)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ SCD O00767 3/20 0.51
▸ AR P10275 2/20 0.44
▸ MAPKAPK2 P49137 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ SCD5 Q86SK9 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ KLKB1 P03952 1/20 0.39

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
SCHEMBL29483800 0.83 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDAR
SCHEMBL24123062 0.83 HDAC3 (0.57) HDAC3HDAC8NCOR2SCDAR
SCHEMBL30326024 0.83 HDAC3 (0.57) HDAC3HDAC8NCOR2SCDAR
SCHEMBL25260370 0.83 ALDH1A1 (0.45) HDAC3HDAC8NCOR2SCDALDH1A1
SCHEMBL31319588 0.75 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319580 0.75 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31644307 0.74 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL22727981 0.74 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL28988125 0.74 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL27797896 0.74 HDAC3 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210694-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-10-15 — — EP disclosed
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 — — US disclosed
EP-4210694-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-19 — — EP disclosed
WO-2022056051-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-03-17 — — 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 (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-20230416227-A1 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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