SCHEMBL25250866

SCHEMBL25250866

NC(=O)c1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.44
▸ TRPV1 Q8NER1 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TEK Q02763 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
SCHEMBL30426012 1.00 HDAC6 (0.44) HDAC6TRPV1ATRMGLLHDAC1
SCHEMBL25249059 0.88 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL30425217 0.88 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL25249067 0.82 HDAC6 (0.49) HDAC6TRPV1ATRHDAC1
SCHEMBL30425604 0.82 HDAC6 (0.49) HDAC6TRPV1ATRHDAC1
SCHEMBL25214603 0.81 HDAC6 (0.62) HDAC6
SCHEMBL30425006 0.81 HDAC6 (0.62) HDAC6
SCHEMBL30425097 0.79 NAMPT (0.44) HDAC6HDAC1KDRTEK
SCHEMBL25267381 0.79 NAMPT (0.44) HDAC6HDAC1KDRTEK
SCHEMBL3713180 0.78 L3MBTL1 (0.62) HDAC6HDAC1L3MBTL1

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 7 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
CN-116157398-A 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 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN 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
CN-116157398-A 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 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN 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 1/4885TRPV1 4032/4885ATR 1419/4885

“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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