SCHEMBL20181689

SCHEMBL20181689

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.62
HDAC3 O15379 1/20 0.62
KCNH2 Q12809 16/20 0.57
HDAC1 Q13547 17/20 0.56
TBK1 Q9UHD2 1/20 0.52

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
SCHEMBL8232846 0.93 HDAC3 (0.73) HDAC2HDAC3KCNH2HDAC1
SCHEMBL12535755 0.89 HDAC2 (0.60) HDAC2HDAC3KCNH2HDAC1
SCHEMBL20181717 0.89 HDAC3 (0.63) HDAC2HDAC3KCNH2HDAC1
SCHEMBL15683161 0.88 HDAC1 (0.60) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL21538765 0.88 TBK1 (0.60) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL15683152 0.88 HDAC1 (0.59) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL20163160 0.86 HDAC2 (0.54) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL20181514 0.86 HDAC1 (0.56) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL20163138 0.86 HDAC2 (0.56) HDAC2HDAC3KCNH2HDAC1TBK1
SCHEMBL20181825 0.86 HDAC3 (0.56) HDAC2HDAC3KCNH2HDAC1TBK1

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885KCNH2 4371/4885

“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.