SCHEMBL20181693

SCHEMBL20181693

CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C18 P33260 2/20 0.55
CYP2C19 P33261 2/20 0.55
HDAC2 Q92769 9/20 0.49
HDAC3 O15379 6/20 0.45
HDAC1 Q13547 3/20 0.45
TBK1 Q9UHD2 1/20 0.44
WNT3A P56704 2/20 0.43
GPR119 Q8TDV5 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
BACE1 P56817 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL20163135 0.93 HDAC2 (0.59) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL21275920 0.92 HDAC2 (0.55) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20163130 0.91 HDAC2 (0.57) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20163020 0.88 HDAC2 (0.57) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20163137 0.88 HDAC2 (0.57) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20176429 0.87 HDAC3 (0.54) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20163154 0.86 HDAC3 (0.54) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181722 0.86 HDAC2 (0.57) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20163152 0.84 HDAC2 (0.70) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181660 0.83 KCNH2 (0.58) KCNH2CYP1A2CYP2C18CYP2C19HDAC2

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 3509/4885CYP1A2 1862/4885CYP2C18 3110/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3232/4885CYP1A2 1585/4885CYP2C18 2679/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885CYP1A2 3062/4885CYP2C18 3611/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3225/4885CYP1A2 2182/4885CYP2C18 3386/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3551/4885CYP1A2 2376/4885CYP2C18 3310/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885CYP1A2 3062/4885CYP2C18 3611/4885

“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.