SCHEMBL25389287

SCHEMBL25389287

Nc1ncc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.49
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HDAC1 Q13547 6/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30425027 1.00 HDAC6 (0.49) HDAC6NPC1RAB9AHDAC1NFKB1
SCHEMBL25387164 0.91 HDAC6 (0.52) HDAC6RAB9ASMN1; SMN2
SCHEMBL30424952 0.91 HDAC6 (0.52) HDAC6RAB9ASMN1; SMN2
SCHEMBL30425018 0.90 HDAC6 (0.60) HDAC6
SCHEMBL25386925 0.90 HDAC6 (0.60) HDAC6
SCHEMBL25386312 0.90 HDAC6 (0.46) HDAC6NPC1RAB9ANFKB1NFKB2
SCHEMBL30425153 0.90 HDAC6 (0.46) HDAC6NPC1RAB9ANFKB1NFKB2
SCHEMBL25386766 0.88 HDAC6 (0.46) HDAC6NPC1RAB9ANFKB1NFKB2
SCHEMBL30425685 0.88 HDAC6 (0.46) HDAC6NPC1RAB9ANFKB1NFKB2
SCHEMBL25389860 0.88 HDAC6 (0.51) HDAC6NPC1RAB9AHDAC1NFKB1

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 4 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

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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