SCHEMBL20181707

SCHEMBL20181707

CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1NC(=O)c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.46
HDAC3 O15379 7/20 0.46
KCNH2 Q12809 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
HDAC1 Q13547 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
BACE1 P56817 2/20 0.40
MAP4K4 O95819 1/20 0.40
TBK1 Q9UHD2 1/20 0.38
WNT3A P56704 1/20 0.38
LRRK2 Q5S007 1/20 0.37
PIK3CA P42336 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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) HDAC2HDAC3KCNH2HDAC1NCOR2
SCHEMBL20181823 0.89 TBK1 (0.48) HDAC2HDAC3KCNH2GPR119HDAC1
SCHEMBL20163134 0.89 HDAC2 (0.57) HDAC2HDAC3KCNH2HDAC1NCOR2
SCHEMBL20181708 0.88 HDAC2 (0.60) HDAC2HDAC3KCNH2GPR119HDAC1
SCHEMBL20181655 0.87 KCNH2 (0.59) HDAC2HDAC3KCNH2GPR119HDAC1
SCHEMBL20181657 0.85 KCNH2 (0.59) HDAC2HDAC3KCNH2GPR119HDAC1
SCHEMBL15936527 0.85 HDAC3 (0.54) HDAC2HDAC3KCNH2HDAC1NCOR2
SCHEMBL15683152 0.85 HDAC1 (0.59) HDAC2HDAC3KCNH2GPR119HDAC1
SCHEMBL20181824 0.83 HDAC2 (0.56) HDAC2HDAC3GPR119HDAC1BACE1
SCHEMBL20163098 0.82 HDAC3 (0.57) HDAC2HDAC3GPR119HDAC1BACE1

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