SCHEMBL20163154

SCHEMBL20163154

CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.54
HDAC2 Q92769 4/20 0.54
TBK1 Q9UHD2 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
WNT3A P56704 2/20 0.43
KCNH2 Q12809 2/20 0.42
BACE1 P56817 1/20 0.42
CYP17A1 P05093 1/20 0.41
USP30 Q70CQ3 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIT P10721 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
SCHEMBL20163095 0.92 HDAC3 (0.54) HDAC3HDAC2GPR119WNT3AKCNH2
SCHEMBL20163071 0.92 HDAC3 (0.54) HDAC3HDAC2GPR119WNT3AKCNH2
SCHEMBL20181695 0.89 HDAC3 (0.57) HDAC3HDAC2GPR119KCNH2
SCHEMBL20163074 0.88 HDAC3 (0.56) HDAC3HDAC2GPR119WNT3AKCNH2
SCHEMBL20176429 0.87 HDAC3 (0.54) HDAC3HDAC2TBK1GPR119WNT3A
SCHEMBL20181693 0.86 KCNH2 (0.55) HDAC3HDAC2TBK1GPR119WNT3A
SCHEMBL20163030 0.85 HDAC3 (0.61) HDAC3HDAC2GPR119KCNH2BACE1
SCHEMBL20181669 0.85 HDAC2 (0.54) HDAC3HDAC2TBK1GPR119WNT3A
SCHEMBL20181660 0.84 KCNH2 (0.58) HDAC3HDAC2TBK1GPR119WNT3A
SCHEMBL20163019 0.83 HDAC3 (0.55) HDAC3HDAC2TBK1GPR119WNT3A

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 9 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-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2022-09-08 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO 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 (7 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 7/4885HDAC2 2/4885TBK1 2876/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885TBK1 3275/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885TBK1 2693/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885TBK1 2948/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885TBK1 2844/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885TBK1 2948/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885TBK1 2693/4885

“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.