SCHEMBL25388263

SCHEMBL25388263

Nc1cc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.47
▸ ROCK2 O75116 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CDC7 O00311 1/20 0.36

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
SCHEMBL30424944 1.00 HDAC6 (0.47) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL25388742 0.90 ROCK2 (0.42) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL30425697 0.90 ROCK2 (0.42) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL30425814 0.88 HDAC6 (0.51) HDAC6
SCHEMBL25244417 0.88 HDAC6 (0.51) HDAC6
SCHEMBL25387989 0.86 HDAC6 (0.43) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL30425608 0.86 ROCK2 (0.38) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL25387354 0.86 ROCK2 (0.38) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL30424858 0.86 HDAC6 (0.43) HDAC6ROCK2GSK3BPIM1AURKB
SCHEMBL25388641 0.85 HDAC6 (0.47) HDAC6ROCK2GSK3BPIM1AURKB

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 1 patent. 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 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 1/4885ROCK2 2381/4885GSK3B 116/4885

“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.

Send feedback