SCHEMBL20176422

SCHEMBL20176422

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCNCC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 1.00
HDAC3 O15379 13/20 1.00
HDAC1 Q13547 3/20 0.70
KCNH2 Q12809 4/20 0.61
CYP1A2 P05177 1/20 0.59
CYP2C18 P33260 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL20176430 0.91 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20176428 0.90 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20176427 0.86 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20176405 0.86 HDAC3 (0.75) HDAC2HDAC3HDAC1KCNH2
SCHEMBL5228076 0.86 HDAC2 (0.74) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20176423 0.85 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2
SCHEMBL20181688 0.84 HDAC3 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20181484 0.83 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL20176431 0.82 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL4578619 0.80 KCNH2 (0.73) HDAC2HDAC3HDAC1KCNH2

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 8 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
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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 7/4885HDAC1 1/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 8/4885HDAC1 1/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885HDAC1 1/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 7/4885HDAC1 1/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 7/4885HDAC1 1/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885HDAC1 1/4885

“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.