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SCHEMBL20181669

SCHEMBL20181669

CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.54
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ TBK1 Q9UHD2 1/20 0.45
▸ BACE1 P56817 3/20 0.43
▸ WNT3A P56704 2/20 0.43
▸ CYP17A1 P05093 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ GBA1 P04062 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
SCHEMBL20207460 0.93 BACE1 (0.51) HDAC2HDAC1HDAC3BACE1WNT3A
SCHEMBL20163112 0.93 HDAC2 (0.55) HDAC2HDAC1HDAC3TBK1BACE1
SCHEMBL20181824 0.90 HDAC2 (0.56) HDAC2HDAC1HDAC3TBK1BACE1
SCHEMBL28314026 0.89 HDAC2 (0.69) HDAC2HDAC1HDAC3CYP17A1
SCHEMBL20181495 0.86 HDAC2 (0.57) HDAC2HDAC1HDAC3BACE1GPR119
SCHEMBL21538679 0.85 HDAC2 (0.51) HDAC2HDAC1HDAC3TBK1BACE1
SCHEMBL20163154 0.85 HDAC3 (0.54) HDAC2HDAC3TBK1BACE1WNT3A
SCHEMBL21538765 0.83 TBK1 (0.60) HDAC2HDAC1HDAC3TBK1WNT3A
SCHEMBL20163019 0.83 HDAC3 (0.55) HDAC2HDAC1HDAC3TBK1BACE1
SCHEMBL20176429 0.82 HDAC3 (0.54) HDAC2HDAC3TBK1BACE1WNT3A

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 HDAC2 2/4885HDAC1 1/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 6/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 7/4885

“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.