SCHEMBL24401259

SCHEMBL24401259

O=C(NO)c1ccc(CNCCCC2CC3CCCC(C2)C3)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.60
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
DDR1 Q08345 9/20 0.38
EPHX2 P34913 3/20 0.37

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
SCHEMBL24401274 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2
SCHEMBL24401101 0.80 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2
SCHEMBL29309838 0.79 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2DDR1
SCHEMBL20535208 0.75 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2
SCHEMBL24401258 0.73 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2
SCHEMBL19389012 0.70 SCN9A (0.64)
SCHEMBL29309807 0.70 HDAC6 (0.41) HDAC6DDR1EPHX2
SCHEMBL29309818 0.68 HDAC6 (0.39) HDAC6EPHX2
SCHEMBL21743515 0.67 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2
SCHEMBL29309802 0.67 HDAC6 (0.50) HDAC6HDAC1EPHX2

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-20220133916-A1 HDAC6 Inhibitors and Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-05-05 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-20220133916-A1 HDAC6 Inhibitors and Imaging Agents HDAC1, HDAC6, HDAC11 HDAC6 2/4885HDAC1 1/4885HDAC3 4/4885

“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.