SCHEMBL25254557

SCHEMBL25254557

CN1CCN(C(=O)Nc2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.51
▸ KDR P35968 2/20 0.50
▸ TEK Q02763 2/20 0.50
▸ NAMPT P43490 4/20 0.48
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ UCHL5 Q9Y5K5 1/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ SIRT2 Q8IXJ6 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
SCHEMBL30425218 1.00 HDAC6 (0.51) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL26226766 0.92 NAMPT (0.53) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL30424923 0.90 HDAC6 (0.49) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25267691 0.90 HDAC6 (0.49) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL30424957 0.90 KDM4E (0.45) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25254596 0.90 KDM4E (0.45) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25207943 0.87 UCHL5 (0.56) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL30425502 0.87 UCHL5 (0.56) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL25350756 0.86 HDAC6 (0.53) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25248032 0.86 KDR (0.60) HDAC6KDRTEKHDAC1HDAC3

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
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US 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 1/4885KDR 4559/4885TEK 3642/4885

“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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