SCHEMBL29797029

SCHEMBL29797029

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C(C)(C)C#N)n3)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC1 Q13547 8/20 0.38
▸ HDAC8 Q9BY41 7/20 0.38
▸ HDAC4 P56524 2/20 0.35
▸ HDAC5 Q9UQL6 4/20 0.35
▸ BDKRB1 P46663 4/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL26962612 1.00 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628392 0.91 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375533 0.91 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL30830371 0.88 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628095 0.87 GAA (0.36) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL26962169 0.87 HDAC6 (0.39) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375592 0.86 BDKRB1 (0.35) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628240 0.86 BDKRB1 (0.35) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375493 0.86 GAA (0.34) GAA
SCHEMBL31375596 0.82 GAA (0.37) HDAC6HDAC1HDAC8HDAC4HDAC5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — WO 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 HDAC6 659/4885HDAC1 14/4885HDAC8 685/4885

“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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