SCHEMBL20176424

SCHEMBL20176424

CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.55
HDAC2 Q92769 10/20 0.55
GPR119 Q8TDV5 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
WDR5 P61964 1/20 0.41
BACE1 P56817 2/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TGFBR1 P36897 1/20 0.39
MAPK8 P45983 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
SCHEMBL20163022 0.88 HDAC2 (0.52) HDAC3HDAC2BACE1MAPK8
SCHEMBL20163030 0.87 HDAC3 (0.61) HDAC3HDAC2GPR119ABCB1ABCG2
SCHEMBL20181722 0.87 HDAC2 (0.57) HDAC3HDAC2GPR119ABCB1ABCG2
SCHEMBL20176426 0.86 HDAC2 (0.55) HDAC3HDAC2GPR119BACE1MAPK8
SCHEMBL20176406 0.85 GBA1 (0.45) HDAC3HDAC2GPR119BACE1TGFBR1
SCHEMBL20163090 0.85 HDAC2 (0.53) HDAC3HDAC2BACE1MAPK8
SCHEMBL20176429 0.84 HDAC3 (0.54) HDAC3HDAC2GPR119WDR5BACE1
SCHEMBL5226822 0.84 MAPK8 (0.46) HDAC3HDAC2GPR119BACE1MAPK8
SCHEMBL20163081 0.83 HDAC2 (0.58) HDAC3HDAC2GPR119ABCB1ABCG2
SCHEMBL20181495 0.82 HDAC2 (0.57) HDAC3HDAC2GPR119ABCB1ABCG2

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 7 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
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 HDAC3 7/4885HDAC2 2/4885GPR119 1458/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885GPR119 1354/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885GPR119 1560/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885GPR119 2449/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885GPR119 1880/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885GPR119 1560/4885

“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.