Sugi Predict

Sugi Predict / Compounds / SCHEMBL20181817

SCHEMBL20181817

SCHEMBL20181817

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.47
▸ HDAC2 Q92769 9/20 0.47
▸ HDAC3 O15379 10/20 0.45
▸ HDAC1 Q13547 11/20 0.44
▸ NCOR2 Q9Y618 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ KCNH2 Q12809 3/20 0.42

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
SCHEMBL29368215 0.93 HDAC3 (0.53) HDAC2HDAC3HDAC1NCOR2KCNH2
SCHEMBL24233545 0.93 HDAC3 (0.53) HDAC2HDAC3HDAC1NCOR2KCNH2
SCHEMBL21538675 0.91 HDAC3 (0.56) HDAC2HDAC3HDAC1NCOR2KCNH2
SCHEMBL20181686 0.89 WNT3A (0.45) HDAC2HDAC3HDAC1GPR119KCNH2
SCHEMBL20163096 0.86 KCNH2 (0.46) HDAC2HDAC3HDAC1GPR119KCNH2
SCHEMBL19278386 0.86 HDAC3 (0.51) GBA1HDAC2HDAC3HDAC1GPR119
SCHEMBL21275921 0.86 HDAC3 (0.62) GBA1HDAC2HDAC3HDAC1GPR119
SCHEMBL15924998 0.86 HDAC3 (0.55) HDAC2HDAC3HDAC1KCNH2
SCHEMBL15936521 0.86 HDAC3 (0.55) HDAC2HDAC3HDAC1KCNH2
SCHEMBL20181657 0.85 KCNH2 (0.59) HDAC2HDAC3HDAC1GPR119KCNH2

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 GBA1 1193/4885HDAC2 2/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GBA1 1246/4885HDAC2 2/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1311/4885HDAC2 2/4885HDAC3 6/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GBA1 1176/4885HDAC2 2/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1072/4885HDAC2 2/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1311/4885HDAC2 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.