SCHEMBL20176402

SCHEMBL20176402

Cc1nc(N2CCCCC2)sc1C(=O)Nc1cc(-c2cccs2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
HDAC3 O15379 10/20 0.44
HDAC2 Q92769 9/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 7/20 0.42
LCK P06239 3/20 0.41

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
SCHEMBL20181848 0.78 KCNH2 (0.84) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20181508 0.78 KCNH2 (0.73) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20163024 0.77 HDAC3 (0.59) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20163148 0.76 HDAC3 (0.57) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20176404 0.76 KCNH2 (1.00) KCNH2HDAC3HDAC2HDAC1
SCHEMBL23960955 0.74 HDAC3 (0.59) KCNH2HDAC3HDAC2HDAC1
SCHEMBL12535767 0.74 HDAC1 (0.47) HDAC3HDAC2MEN1ALDH1A1KMT2A
SCHEMBL13833383 0.73 HDAC1 (0.70) HDAC3HDAC2HDAC1
SCHEMBL20181696 0.73 HDAC3 (0.72) KCNH2HDAC3HDAC2HDAC1
SCHEMBL20181695 0.73 HDAC3 (0.57) KCNH2HDAC3HDAC2HDAC1

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 KCNH2 4371/4885HDAC3 6/4885HDAC2 2/4885

“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.