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Sugi Predict / Compounds / SCHEMBL20163096

SCHEMBL20163096

SCHEMBL20163096

CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.46
▸ ADORA2A P29274 3/20 0.45
▸ HDAC3 O15379 7/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ GPR119 Q8TDV5 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ 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
▸ BACE1 P56817 2/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ ALK Q9UM73 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
SCHEMBL21538727 0.91 KCNH2 (0.55) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20181657 0.88 KCNH2 (0.59) KCNH2HDAC3HDAC2GPR119HDAC1
SCHEMBL20181686 0.87 WNT3A (0.45) KCNH2HDAC3HDAC2GPR119ABCB1
SCHEMBL20181817 0.86 GBA1 (0.47) KCNH2HDAC3HDAC2GPR119HDAC1
SCHEMBL20163093 0.86 HDAC3 (0.60) KCNH2ADORA2AHDAC3HDAC2GPR119
SCHEMBL20181655 0.85 KCNH2 (0.59) KCNH2ADORA2AHDAC3HDAC2GPR119
SCHEMBL20181716 0.85 HDAC3 (0.61) KCNH2ADORA2AHDAC3HDAC2GPR119
SCHEMBL15936521 0.85 HDAC3 (0.55) KCNH2HDAC3HDAC2HDAC1MEN1
SCHEMBL15924998 0.85 HDAC3 (0.55) KCNH2HDAC3HDAC2HDAC1MEN1
SCHEMBL20163082 0.81 MAPK8 (0.45) KCNH2ADORA2AHDAC3HDAC2GPR119

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 15 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-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-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
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 KCNH2 3509/4885ADORA2A 4206/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3232/4885ADORA2A 4310/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885ADORA2A 4624/4885HDAC3 6/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3551/4885ADORA2A 4243/4885HDAC3 7/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3225/4885ADORA2A 4195/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3551/4885ADORA2A 4243/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885ADORA2A 4624/4885HDAC3 6/4885

“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.