SCHEMBL20181635

SCHEMBL20181635

Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc2nc(N3CCNCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC1 Q13547 5/20 0.73
KCNH2 Q12809 3/20 0.73
NCOR2 Q9Y618 1/20 0.73

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
SCHEMBL15936541 0.93 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL20181460 0.92 HDAC2 (0.85) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL20181482 0.91 HDAC2 (0.83) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL20181652 0.87 HDAC2 (0.77) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL20181631 0.85 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL15666003 0.84 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL20181471 0.84 KCNH2 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL29361448 0.84 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL15666356 0.84 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2
SCHEMBL15936542 0.80 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2NCOR2

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 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885HDAC1 1/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885HDAC1 1/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885HDAC1 1/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885HDAC1 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.