SCHEMBL20176426

SCHEMBL20176426

CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.55
HDAC3 O15379 9/20 0.55
GPR119 Q8TDV5 1/20 0.42
BACE1 P56817 4/20 0.41
MAPK8 P45983 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.35
BCL6 P41182 1/20 0.35

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) HDAC2HDAC3BACE1MAPK8PTPN2
SCHEMBL20163090 0.87 HDAC2 (0.53) HDAC2HDAC3BACE1MAPK8PTPN2
SCHEMBL20163074 0.87 HDAC3 (0.56) HDAC2HDAC3GPR119BACE1HDAC1
SCHEMBL20176429 0.87 HDAC3 (0.54) HDAC2HDAC3GPR119BACE1PTPN2
SCHEMBL20163020 0.86 HDAC2 (0.57) HDAC2HDAC3GPR119BACE1HDAC1
SCHEMBL20176424 0.86 HDAC3 (0.55) HDAC2HDAC3GPR119BACE1MAPK8
SCHEMBL20176406 0.84 GBA1 (0.45) HDAC2HDAC3GPR119BACE1HDAC1
SCHEMBL20163118 0.83 HDAC2 (0.58) HDAC2HDAC3GPR119BACE1MAPK8
SCHEMBL5226822 0.83 MAPK8 (0.46) HDAC2HDAC3GPR119BACE1MAPK8
SCHEMBL20181824 0.82 HDAC2 (0.56) HDAC2HDAC3GPR119BACE1MAPK8

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