SCHEMBL21835781

SCHEMBL21835781

COCCN(C)c1ccc2cc(C(=O)NN(C(=O)O)c3ccc(-c4cccs4)cc3)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.58
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.43
HPGDS O60760 10/20 0.39
BRAF P15056 1/20 0.38
GRIN2B Q13224 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAOB P27338 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL21835778 0.92 HDAC2 (0.69) HDAC2HDAC1HDAC3HPGDSGRIN2B
SCHEMBL21835805 0.87 HDAC2 (0.49) HDAC2HDAC1HDAC3HPGDSBRAF
SCHEMBL21835786 0.83 HDAC2 (0.54) HDAC2HDAC1HDAC3HPGDSBRAF
SCHEMBL24233460 0.82 HDAC2 (0.85) HDAC2HDAC1HDAC3
SCHEMBL24233452 0.79 HDAC2 (0.65) HDAC2HDAC1HDAC3HPGDS
SCHEMBL21835792 0.76 MGAM (0.47) HDAC2HPGDS
SCHEMBL24233435 0.73 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL1068512 0.72 ABL1 (0.54) HDAC2HDAC1HDAC3
SCHEMBL4580709 0.72 TDP1 (0.51) HDAC2HDAC1HDAC3HPGDS
SCHEMBL24233533 0.71 HDAC2 (0.75) HDAC2HDAC1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 US disclosed
EP-3856174-A1 HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-04 EP disclosed
WO-2020068950-A1 HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2020-04-02 WO 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 (2 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-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 6/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 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.