SCHEMBL30326024

SCHEMBL30326024

CC(C)(C)OC(=O)Nc1cnn(Cc2ccc(Cl)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ SCD O00767 3/20 0.52
▸ AR P10275 2/20 0.44
▸ SCD5 Q86SK9 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ TAS2R8 Q9NYW2 2/20 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
SCHEMBL24123062 1.00 HDAC3 (0.57) HDAC3HDAC8NCOR2SCDAR
SCHEMBL29483796 0.83 HDAC3 (0.55) HDAC3HDAC8NCOR2SCDAR
SCHEMBL30326087 0.78 HDAC3 (0.45) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31412502 0.78 HDAC3 (0.45) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319580 0.74 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319588 0.74 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL1279054 0.74 TAS2R8 (0.65) TAS2R8
SCHEMBL22727981 0.73 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31644307 0.73 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL28988125 0.73 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 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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