SCHEMBL20163065

SCHEMBL20163065

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.54
HDAC3 O15379 5/20 0.54
KCNH2 Q12809 2/20 0.54
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
WNT3A P56704 2/20 0.49
HDAC1 Q13547 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALK Q9UM73 3/20 0.43
BACE1 P56817 2/20 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
SCHEMBL20163064 0.94 MEN1 (0.51) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL23960936 0.92 MEN1 (0.54) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20181718 0.92 HDAC3 (0.57) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20181660 0.92 KCNH2 (0.58) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20163161 0.89 HDAC2 (0.55) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20163050 0.88 HDAC3 (0.60) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL23960906 0.87 SMN1; SMN2 (0.51) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL21275921 0.86 HDAC3 (0.62) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20181517 0.86 HDAC2 (0.55) HDAC2HDAC3KCNH2MEN1MAPT
SCHEMBL20163093 0.85 HDAC3 (0.60) HDAC2HDAC3KCNH2MEN1MAPT

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 13 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-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-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-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-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
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 (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 HDAC2 2/4885HDAC3 7/4885KCNH2 3509/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 8/4885KCNH2 3232/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885KCNH2 4371/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 7/4885KCNH2 3225/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 7/4885KCNH2 3551/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885KCNH2 4371/4885

“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.