SCHEMBL20534684

SCHEMBL20534684

O=C(NO)c1cc(F)c(Cn2nnnc2-c2ccc3ccccc3n2)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.69
HDAC1 Q13547 10/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC2 Q92769 6/20 0.63
HDAC3 O15379 5/20 0.63
HDAC4 P56524 5/20 0.63
HDAC7 Q8WUI4 5/20 0.63
HDAC10 Q969S8 5/20 0.63
HDAC11 Q96DB2 5/20 0.63
HDAC9 Q9UKV0 5/20 0.63
HDAC5 Q9UQL6 5/20 0.63
CYP3A4 P08684 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
SCHEMBL30396391 1.00 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20534547 0.83 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20535019 0.83 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30395641 0.83 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20534541 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30396605 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL23316860 0.79 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20534959 0.79 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30395866 0.79 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20534950 0.78 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP claimed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US claimed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US claimed
EP-3562810-A1 SELECTIVE HDAC6 INHIBITORS Italfarmaco SpA (IT) 2019-11-06 EP claimed
WO-2018189340-A1 SELECTIVE HDAC6 INHIBITORS ITALFARMACO S.P.A. (IT) 2018-10-18 WO claimed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US disclosed
EP-3562810-A1 SELECTIVE HDAC6 INHIBITORS Italfarmaco SpA (IT) 2019-11-06 EP disclosed
WO-2018189340-A1 SELECTIVE HDAC6 INHIBITORS ITALFARMACO S.P.A. (IT) 2018-10-18 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-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC8 10/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC8 10/4885

“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.