SCHEMBL25218182

SCHEMBL25218182

Nc1cnc2ccc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.47
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATM Q13315 1/20 0.32

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
SCHEMBL30424292 1.00 HDAC6 (0.47) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL25389860 0.90 HDAC6 (0.51) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL30425736 0.90 HDAC6 (0.51) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL30424649 0.88 HDAC6 (0.47) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL25220751 0.88 HDAC6 (0.47) HDAC6NPC1RAB9A
SCHEMBL30425153 0.88 HDAC6 (0.46) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL25386312 0.88 HDAC6 (0.46) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL25387529 0.88 HDAC6 (0.47) HDAC6NPC1RAB9ARECQLTDP1
SCHEMBL30424435 0.88 HDAC6 (0.47) HDAC6NPC1RAB9A
SCHEMBL25385168 0.86 HDAC6 (0.46) HDAC6NPC1RAB9ARECQLTDP1

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 1/4885NPC1 3167/4885RAB9A 3395/4885

“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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