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SCHEMBL20181508

SCHEMBL20181508

CN1CCN(c2ncc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)s2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.73
▸ HDAC2 Q92769 11/20 0.56
▸ HDAC3 O15379 11/20 0.51
▸ HDAC1 Q13547 8/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C18 P33260 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SRPK1 Q96SB4 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
SCHEMBL20163152 0.90 HDAC2 (0.70) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL8292821 0.85 KCNH2 (0.54) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL12933724 0.85 KCNH2 (0.54) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL23960955 0.85 HDAC3 (0.59) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181507 0.84 KCNH2 (1.00) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181696 0.84 HDAC3 (0.72) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20163061 0.83 HDAC3 (0.74) KCNH2HDAC2HDAC3HDAC1
SCHEMBL8232846 0.83 HDAC3 (0.73) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20163135 0.82 HDAC2 (0.59) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181693 0.81 KCNH2 (0.55) KCNH2HDAC2HDAC3HDAC1CYP1A2

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

“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.