SCHEMBL25267008

SCHEMBL25267008

CCNc1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.48
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ UCHL5 Q9Y5K5 1/20 0.36
▸ SIRT2 Q8IXJ6 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
SCHEMBL30425120 1.00 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30424658 0.87 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25241512 0.87 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL26226636 0.87 CYP3A4 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30424907 0.87 UCHL5 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25267677 0.87 UCHL5 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25252848 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30425231 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25993735 0.84 HDAC6 (0.58) HDAC6HDAC1
SCHEMBL25214632 0.84 HDAC6 (0.52) HDAC6UCHL5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 — — EP claimed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 — — EP 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 (1 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC3 3/4885HDAC1 2/4885

“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.

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