SCHEMBL25215233

SCHEMBL25215233

Nc1nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.52
▸ GSK3B P49841 9/20 0.45
▸ ROCK2 O75116 9/20 0.45
▸ CDC7 O00311 6/20 0.45
▸ AURKB Q96GD4 6/20 0.43
▸ PIM1 P11309 6/20 0.43
▸ KDR P35968 5/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ PRKACA P17612 3/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ CHUK O15111 2/20 0.43
▸ MAPK13 O15264 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ PRKCG P05129 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL30424426 1.00 HDAC6 (0.52) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25386557 0.86 HDAC6 (0.40) HDAC6PIM1
SCHEMBL30424439 0.86 HDAC6 (0.40) HDAC6PIM1
SCHEMBL30425392 0.84 HDAC6 (0.50) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25260165 0.84 HDAC6 (0.50) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25351569 0.83 HDAC6 (0.55) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL30425545 0.82 HDAC6 (0.53) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25211509 0.82 HDAC6 (0.51) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25251038 0.82 HDAC6 (0.53) HDAC6GSK3BROCK2CDC7AURKB
SCHEMBL25355210 0.81 ROCK2 (0.70) HDAC6GSK3BROCK2CDC7AURKB

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 1/4885GSK3B 116/4885ROCK2 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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