SCHEMBL20181695

SCHEMBL20181695

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.57
KCNH2 Q12809 2/20 0.57
GBA1 P04062 1/20 0.46
HDAC2 Q92769 9/20 0.44
HDAC1 Q13547 6/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL21538714 0.89 HDAC3 (0.72) HDAC3KCNH2HDAC2HDAC1
SCHEMBL20163095 0.89 HDAC3 (0.54) HDAC3KCNH2HDAC2GPR119
SCHEMBL20163154 0.89 HDAC3 (0.54) HDAC3KCNH2HDAC2GPR119
SCHEMBL20176406 0.87 GBA1 (0.45) HDAC3KCNH2GBA1HDAC2HDAC1
SCHEMBL20163071 0.87 HDAC3 (0.54) HDAC3KCNH2HDAC2HDAC1GPR119
SCHEMBL20163024 0.86 HDAC3 (0.59) HDAC3KCNH2GBA1HDAC2HDAC1
SCHEMBL23960959 0.86 HDAC3 (0.50) HDAC3KCNH2GBA1HDAC2HDAC1
SCHEMBL20163030 0.86 HDAC3 (0.61) HDAC3KCNH2HDAC2GPR119
SCHEMBL21275921 0.85 HDAC3 (0.62) HDAC3KCNH2GBA1HDAC2HDAC1
SCHEMBL20163102 0.85 MAPK8 (0.45) HDAC3KCNH2GBA1HDAC2HDAC1

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
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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 (4 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885KCNH2 3509/4885GBA1 1193/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885KCNH2 3232/4885GBA1 1246/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885KCNH2 4371/4885GBA1 1311/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885KCNH2 3551/4885GBA1 1072/4885

“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.