SCHEMBL25210733

SCHEMBL25210733

CC1(C)NC(=O)c2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.50
▸ ESRRG P62508 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ KDR P35968 3/20 0.36
▸ TEK Q02763 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35

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
SCHEMBL30424594 1.00 HDAC6 (0.50) HDAC6ESRRGMEN1KMT2AGSK3B
SCHEMBL30425675 0.82 HDAC6 (0.53) HDAC6ESRRGMEN1KMT2AGSK3B
SCHEMBL25267369 0.82 HDAC6 (0.53) HDAC6ESRRGMEN1KMT2AGSK3B
SCHEMBL30409501 0.77 HDAC6 (0.55) HDAC6ESRRGMEN1KMT2AGSK3B
SCHEMBL25350331 0.77 HDAC6 (0.57) HDAC6ESRRGGSK3BROCK2CDC7
SCHEMBL25992735 0.77 HDAC6 (0.57) HDAC6ESRRGMEN1KMT2AKDR
SCHEMBL24216388 0.77 HDAC6 (0.57) HDAC6ESRRGGSK3BROCK2CDC7
SCHEMBL30409126 0.77 HDAC6 (0.57) HDAC6ESRRGGSK3BROCK2CDC7
SCHEMBL30425754 0.77 HDAC6 (0.53) HDAC6GSK3BROCK2CDC7KDR
SCHEMBL25992740 0.77 TEK (0.61) HDAC6ESRRGMEN1KMT2AGSK3B

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 1/4885ESRRG 4586/4885MEN1 4567/4885

“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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