SCHEMBL25214632

SCHEMBL25214632

Nc1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.52
▸ TEK Q02763 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ UCHL5 Q9Y5K5 2/20 0.43
▸ EPHB4 P54760 1/20 0.42
▸ PRMT5 O14744 1/20 0.39
▸ MECP2 P51608 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ UCHL3 P15374 1/20 0.37

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
SCHEMBL30425461 1.00 HDAC6 (0.52) HDAC6TEKKDRUCHL5EPHB4
SCHEMBL25215288 0.89 HDAC6 (0.52) HDAC6UCHL5UCHL1UCHL3
SCHEMBL25993735 0.89 HDAC6 (0.58) HDAC6TEKEPHB4
SCHEMBL24216081 0.88 TEK (0.47) HDAC6TEKKDRUCHL5EPHB4
SCHEMBL30409885 0.88 TEK (0.47) HDAC6TEKKDRUCHL5EPHB4
SCHEMBL25249787 0.87 HDAC6 (0.48) HDAC6TEKKDR
SCHEMBL30425114 0.87 HDAC6 (0.48) HDAC6TEKKDR
SCHEMBL30410153 0.86 TEK (0.61) HDAC6TEKKDRUCHL5EPHB4
SCHEMBL25254106 0.86 TEK (0.61) HDAC6TEKKDRUCHL5EPHB4
SCHEMBL25214456 0.85 HDAC6 (0.50) HDAC6TEKKDRCA5A

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 1/4885TEK 3642/4885KDR 4559/4885

“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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