SCHEMBL20181655

SCHEMBL20181655

CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
HDAC2 Q92769 6/20 0.46
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ADORA2A P29274 4/20 0.42
ADORA1 P30542 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
BACE1 P56817 2/20 0.41
MAP4K4 O95819 1/20 0.40
WDR5 P61964 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ADORA2B P29275 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
SCHEMBL20181678 0.89 BACE1 (0.49) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL20181716 0.88 HDAC3 (0.61) KCNH2HDAC2HDAC3HDAC1GPR119
SCHEMBL20181707 0.87 HDAC2 (0.46) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL20163134 0.86 HDAC2 (0.57) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL20181823 0.86 TBK1 (0.48) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL15683152 0.86 HDAC1 (0.59) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL20163096 0.85 KCNH2 (0.46) KCNH2HDAC2HDAC3HDAC1GPR119
SCHEMBL15936527 0.84 HDAC3 (0.54) KCNH2HDAC2HDAC3HDAC1NCOR2
SCHEMBL20181495 0.83 HDAC2 (0.57) KCNH2HDAC2HDAC3HDAC1GPR119
SCHEMBL20163107 0.82 HDAC3 (0.57) KCNH2HDAC2HDAC3HDAC1GPR119

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