SCHEMBL25254596

SCHEMBL25254596

CN1CCN(C(=O)Nc2cccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.42
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 1/20 0.41
▸ HDAC1 Q13547 8/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ UCHL5 Q9Y5K5 1/20 0.40
▸ NAMPT P43490 4/20 0.39
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 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
SCHEMBL30424957 1.00 KDM4E (0.45) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL25254679 0.92 NAMPT (0.43) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL30425549 0.92 NAMPT (0.43) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL30425218 0.90 HDAC6 (0.51) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL25254557 0.90 HDAC6 (0.51) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL25267677 0.88 UCHL5 (0.51) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL30424907 0.88 UCHL5 (0.51) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL25267691 0.88 HDAC6 (0.49) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL30424923 0.88 HDAC6 (0.49) KDM4EHDAC6KDRTEKHDAC1
SCHEMBL25267877 0.87 KDR (0.49) 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 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 KDM4E 562/4885HDAC6 1/4885KDR 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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