SCHEMBL25270189

SCHEMBL25270189

O=C(Nc1cccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)c1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PRMT6 Q96LA8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL30424839 1.00 HDAC6 (0.42) HDAC6NAMPTKDRTEKHDAC3
SCHEMBL25254679 0.90 NAMPT (0.43) HDAC6NAMPTKDRTEKHDAC3
SCHEMBL30425549 0.90 NAMPT (0.43) HDAC6NAMPTKDRTEKHDAC3
SCHEMBL30425562 0.89 HDAC6 (0.46) HDAC6NAMPTKDRTEKHDAC1
SCHEMBL25386481 0.89 HDAC6 (0.46) HDAC6NAMPTKDRTEKHDAC1
SCHEMBL25219133 0.88 NAMPT (0.43) HDAC6NAMPTKDRHDAC3HDAC1
SCHEMBL30424989 0.88 NAMPT (0.43) HDAC6NAMPTKDRHDAC3HDAC1
SCHEMBL26226766 0.86 NAMPT (0.53) HDAC6NAMPTKDRTEKHDAC3
SCHEMBL25216741 0.85 NAMPT (0.41) HDAC6NAMPTKDRTEKHDAC3
SCHEMBL25224822 0.85 NAMPT (0.46) HDAC6NAMPTKDRTEKHDAC3

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 1/4885NAMPT 608/4885KDR 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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