SCHEMBL25252603

SCHEMBL25252603

[2H]C([2H])(c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2cccc(NC(=O)N3CCOCC3)c2)nn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ HDAC1 Q13547 5/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PRMT6 Q96LA8 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
SCHEMBL30425562 0.92 HDAC6 (0.46) HDAC6GSK3BDYRK1ANAMPTHDAC1
SCHEMBL25386481 0.92 HDAC6 (0.46) HDAC6GSK3BDYRK1ANAMPTHDAC1
SCHEMBL25215221 0.90 NAMPT (0.45) HDAC6GSK3BDYRK1ANAMPTHDAC1
SCHEMBL26226766 0.85 NAMPT (0.53) HDAC6NAMPTHDAC1
SCHEMBL25267691 0.85 HDAC6 (0.49) HDAC6NAMPTHDAC1
SCHEMBL30424923 0.85 HDAC6 (0.49) HDAC6NAMPTHDAC1
SCHEMBL25250825 0.85 HDAC6 (0.44) HDAC6HDAC1ROCK2ROCK1NPC1
SCHEMBL30424839 0.84 HDAC6 (0.42) HDAC6GSK3BDYRK1ANAMPTHDAC1
SCHEMBL25270189 0.84 HDAC6 (0.42) HDAC6GSK3BDYRK1ANAMPTHDAC1
SCHEMBL25216024 0.83 HDAC6 (0.44) HDAC6GSK3BDYRK1AHDAC1ROCK2

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 3 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
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 116/4885DYRK1A 2513/4885

“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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