SCHEMBL24925445

SCHEMBL24925445

CC(C)(C)c1ccccc1/C=C/C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.58
HDAC6 Q9UBN7 10/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC2 Q92769 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC4 P56524 6/20 0.53
MAOB P27338 1/20 0.50
HDAC7 Q8WUI4 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
NFKB1 P19838 1/20 0.47
MAOA P21397 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL22026727 0.82 NFKB1 (0.68) MAOBNFKB1MAOA
SCHEMBL8402490 0.81 NFKB1 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL818741 0.81 NFKB1 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL5432209 0.80 MAOB (0.45) HDAC8HDAC6HDAC1MAOBNFKB1
SCHEMBL30071985 0.80 MAOB (0.45) HDAC8HDAC6HDAC1MAOBNFKB1
SCHEMBL5432212 0.80 MAOB (0.45) HDAC8HDAC6HDAC1MAOBNFKB1
SCHEMBL8529144 0.79 NFKB1 (0.50) MAOBNFKB1MAOA
SCHEMBL9788936 0.79 NFKB1 (0.50) MAOBNFKB1MAOA
SCHEMBL12425748 0.77 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL14244407 0.77 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3

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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 HDAC8 10/4885HDAC6 6/4885HDAC1 5/4885

“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.