SCHEMBL25211647

SCHEMBL25211647

FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5nc(Cl)[nH]c5c4)nn3)nc2)o1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.50
▸ HDAC1 Q13547 4/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ CDC7 O00311 1/20 0.36

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
SCHEMBL30424865 1.00 HDAC6 (0.50) HDAC6HDAC1ROCK2GSK3BPIM1
SCHEMBL30425948 0.90 HDAC6 (0.47) HDAC6HDAC1ROCK2GSK3BPIM1
SCHEMBL25216550 0.90 HDAC6 (0.47) HDAC6HDAC1ROCK2GSK3BPIM1
SCHEMBL30425545 0.88 HDAC6 (0.53) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL25251038 0.88 HDAC6 (0.53) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL25211657 0.86 HDAC6 (0.44) HDAC6HDAC1
SCHEMBL30425303 0.86 HDAC6 (0.44) HDAC6HDAC1
SCHEMBL25352046 0.84 HDAC6 (0.52) HDAC6HDAC1ROCK2GSK3BPIM1
SCHEMBL22557571 0.84 HDAC6 (0.56) HDAC6HDAC1
SCHEMBL29398942 0.84 HDAC6 (0.56) HDAC6HDAC1

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 1/4885HDAC1 2/4885ROCK2 2381/4885

“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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