SCHEMBL26961676

SCHEMBL26961676

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C(C)(C)C)n3)cc2N(Cc2ccc(OC3CCCC3)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.37
▸ HDAC1 Q13547 6/20 0.37
▸ HDAC8 Q9BY41 6/20 0.37
▸ SRC P12931 3/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ BDKRB1 P46663 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ P2RX3 P56373 4/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NAAA Q02083 1/20 0.31

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
SCHEMBL29796770 1.00 HDAC6 (0.37) HDAC6HDAC1HDAC8SRCHDAC4
SCHEMBL26961865 0.90 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC4MAPT
SCHEMBL29796828 0.90 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC4MAPT
SCHEMBL29796737 0.88 SRC (0.39) SRCKCNH2MCHR1P2RX3NPY1R
SCHEMBL26961887 0.88 SRC (0.39) SRCKCNH2MCHR1P2RX3NPY1R
SCHEMBL29796940 0.88 HDAC6 (0.35) HDAC6HDAC1HDAC8SRCHDAC4
SCHEMBL26961758 0.88 HDAC6 (0.35) HDAC6HDAC1HDAC8SRCHDAC4
SCHEMBL26963017 0.87 HDAC6 (0.36) HDAC6HDAC1HDAC8HDAC4LMNA
SCHEMBL26962186 0.84 HDAC6 (0.36) HDAC6HDAC1HDAC8HDAC4MAPT
SCHEMBL30830308 0.84 HDAC6 (0.37) HDAC6HDAC1HDAC8SRCHDAC4

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 2 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

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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