SCHEMBL20176429

SCHEMBL20176429

CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.54
HDAC2 Q92769 5/20 0.54
BACE1 P56817 2/20 0.42
CYP17A1 P05093 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
WNT3A P56704 2/20 0.41
USP30 Q70CQ3 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
BRAF P15056 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
WDR5 P61964 1/20 0.39
MMP13 P45452 1/20 0.38

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
SCHEMBL20163022 0.91 HDAC2 (0.52) HDAC3HDAC2BACE1USP30PTPN2
SCHEMBL20163090 0.91 HDAC2 (0.53) HDAC3HDAC2BACE1WNT3APTPN2
SCHEMBL20163154 0.87 HDAC3 (0.54) HDAC3HDAC2BACE1CYP17A1TBK1
SCHEMBL20176406 0.87 GBA1 (0.45) HDAC3HDAC2BACE1GPR119KCNH2
SCHEMBL20176426 0.87 HDAC2 (0.55) HDAC3HDAC2BACE1GPR119PTPN2
SCHEMBL20181693 0.87 KCNH2 (0.55) HDAC3HDAC2BACE1CYP17A1TBK1
SCHEMBL5226822 0.85 MAPK8 (0.46) HDAC3HDAC2BACE1GPR119
SCHEMBL20176424 0.84 HDAC3 (0.55) HDAC3HDAC2BACE1GPR119WDR5
SCHEMBL20181669 0.82 HDAC2 (0.54) HDAC3HDAC2BACE1CYP17A1TBK1
SCHEMBL20181660 0.81 KCNH2 (0.58) HDAC3HDAC2BACE1CYP17A1TBK1

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 8 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-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
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
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 (6 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 2/4885BACE1 1411/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885BACE1 1626/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885BACE1 740/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885BACE1 1662/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885BACE1 1469/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885BACE1 740/4885

“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.