SCHEMBL25213794

SCHEMBL25213794

CN(C)C(=Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)cc1)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.54
▸ HSP90AA1 P07900 3/20 0.42
▸ HSP90AB1 P08238 3/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESRRG P62508 1/20 0.39
▸ EPHB4 P54760 4/20 0.39
▸ KDR P35968 3/20 0.39
▸ TEK Q02763 3/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PTGS2 P35354 2/20 0.38

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
SCHEMBL25218954 0.84 HDAC6 (0.58) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL24215835 0.81 HDAC6 (0.62) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL22558008 0.81 HDAC6 (0.62) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL24599266 0.80 HDAC6 (0.61) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL25244262 0.80 HDAC6 (0.61) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL25224806 0.80 HDAC6 (0.54) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL25386563 0.79 HDAC6 (0.60) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL25351764 0.79 HDAC6 (0.61) HDAC6HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL25348959 0.79 HDAC6 (0.58) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL22557555 0.79 HDAC6 (0.59) HDAC6HSP90AA1HSP90AB1NPC1RAB9A

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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US claimed
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 1/4885HSP90AA1 331/4885HSP90AB1 166/4885

“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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