SCHEMBL20181677

SCHEMBL20181677

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.69
HDAC3 O15379 12/20 0.69
HDAC1 Q13547 8/20 0.59
KCNH2 Q12809 6/20 0.58
HDAC10 Q969S8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL20163160 0.89 HDAC2 (0.54) HDAC2HDAC3HDAC1KCNH2HDAC10
SCHEMBL22738120 0.89 HDAC2 (0.71) HDAC2HDAC3HDAC1KCNH2HDAC10
SCHEMBL5225414 0.86 KCNH2 (0.57) HDAC2HDAC3HDAC1KCNH2
SCHEMBL20163078 0.83 HDAC2 (0.55) HDAC2HDAC3HDAC1KCNH2
SCHEMBL20163097 0.83 HDAC2 (0.70) HDAC2HDAC3HDAC1KCNH2
SCHEMBL20181499 0.82 HDAC2 (0.59) HDAC2HDAC3KCNH2
SCHEMBL20181631 0.82 HDAC2 (1.00) HDAC2HDAC3HDAC1KCNH2HDAC10
SCHEMBL20163138 0.82 HDAC2 (0.56) HDAC2HDAC3HDAC1KCNH2
SCHEMBL6205553 0.81 HDAC1 (0.64) HDAC2HDAC3HDAC1KCNH2
SCHEMBL21538765 0.81 TBK1 (0.60) HDAC2HDAC3HDAC1KCNH2

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 6/4885HDAC1 1/4885

“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.