SCHEMBL20163071

SCHEMBL20163071

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.54
HDAC2 Q92769 8/20 0.47
HDAC1 Q13547 3/20 0.47
BACE1 P56817 1/20 0.42
WNT3A P56704 2/20 0.41
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
GRIA1 P42261 1/20 0.39
ALK Q9UM73 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR2 O95136 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 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) HDAC3HDAC2BACE1WNT3AKCNH2
SCHEMBL20163154 0.92 HDAC3 (0.54) HDAC3HDAC2BACE1WNT3AKCNH2
SCHEMBL20163074 0.88 HDAC3 (0.56) HDAC3HDAC2HDAC1BACE1WNT3A
SCHEMBL20181695 0.87 HDAC3 (0.57) HDAC3HDAC2HDAC1KCNH2GPR119
SCHEMBL20163090 0.86 HDAC2 (0.53) HDAC3HDAC2HDAC1BACE1WNT3A
SCHEMBL21275920 0.86 HDAC2 (0.55) HDAC3HDAC2HDAC1BACE1WNT3A
SCHEMBL20163030 0.85 HDAC3 (0.61) HDAC3HDAC2BACE1KCNH2GPR119
SCHEMBL20163112 0.84 HDAC2 (0.55) HDAC3HDAC2HDAC1BACE1WNT3A
SCHEMBL20163065 0.84 HDAC2 (0.54) HDAC3HDAC2HDAC1BACE1WNT3A
SCHEMBL20163160 0.83 HDAC2 (0.54) HDAC3HDAC2HDAC1WNT3AKCNH2

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 2/4885HDAC1 1/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885HDAC1 1/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885HDAC1 1/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885HDAC1 1/4885

“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.