SCHEMBL20163093

SCHEMBL20163093

CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.60
HDAC2 Q92769 6/20 0.60
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
WNT3A P56704 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA2A P29274 3/20 0.43
WDR5 P61964 1/20 0.42
BACE1 P56817 2/20 0.42
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 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
SCHEMBL20181720 0.92 HDAC3 (0.72) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20163107 0.90 HDAC3 (0.57) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20181718 0.88 HDAC3 (0.57) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20163050 0.86 HDAC3 (0.60) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL23960936 0.86 MEN1 (0.54) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20163096 0.86 KCNH2 (0.46) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20163082 0.86 MAPK8 (0.45) HDAC3HDAC2KCNH2GPR119ABCB1
SCHEMBL20163065 0.85 HDAC2 (0.54) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20181660 0.85 KCNH2 (0.58) HDAC3HDAC2KCNH2MEN1MAPT
SCHEMBL20181716 0.85 HDAC3 (0.61) HDAC3HDAC2KCNH2WNT3AGPR119

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

“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.