SCHEMBL25224083

SCHEMBL25224083

O=C1NCc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)cc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.58
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MET P08581 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ MST1R Q04912 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ CAMK1D Q8IU85 1/20 0.38
▸ BRAF P15056 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
SCHEMBL30424901 1.00 HDAC6 (0.58) HDAC6JAK2NTRK1METFGFR1
SCHEMBL25220722 0.93 HDAC6 (0.58) HDAC6BRAF
SCHEMBL30425619 0.91 HDAC6 (0.58) HDAC6
SCHEMBL25210911 0.91 HDAC6 (0.58) HDAC6
SCHEMBL30424469 0.90 HDAC6 (0.47) HDAC6
SCHEMBL25248148 0.90 HDAC6 (0.47) HDAC6
SCHEMBL30424505 0.88 HDAC6 (0.60) HDAC6
SCHEMBL25223100 0.88 HDAC6 (0.60) HDAC6
SCHEMBL25213951 0.88 HDAC6 (0.59) HDAC6
SCHEMBL30425577 0.88 HDAC6 (0.59) HDAC6

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 6 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
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 1/4885JAK2 1977/4885NTRK1 3852/4885

“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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