SCHEMBL25388641

SCHEMBL25388641

Nc1cnc2ccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.47
▸ GSK3B P49841 3/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ FLT3 P36888 2/20 0.34

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
SCHEMBL25215288 0.85 HDAC6 (0.52) HDAC6
SCHEMBL30424944 0.85 HDAC6 (0.47) HDAC6GSK3BROCK2PAK4PIM1
SCHEMBL25388263 0.85 HDAC6 (0.47) HDAC6GSK3BROCK2PAK4PIM1
SCHEMBL25386805 0.84 HDAC6 (0.60) HDAC6
SCHEMBL30424894 0.84 HDAC6 (0.60) HDAC6
SCHEMBL30425814 0.83 HDAC6 (0.51) HDAC6
SCHEMBL25244417 0.83 HDAC6 (0.51) HDAC6
SCHEMBL30425114 0.83 HDAC6 (0.48) HDAC6
SCHEMBL25249787 0.83 HDAC6 (0.48) HDAC6
SCHEMBL25214632 0.82 HDAC6 (0.52) 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 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 claimed

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 1/4885GSK3B 116/4885ROCK2 2381/4885

“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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