SCHEMBL16200787

SCHEMBL16200787

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)c3c2C2(CC2)CO3)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL15303869 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL15306196 0.92 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL19396321 0.92 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL29438019 0.92 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL16200798 0.91 HDAC4 (0.36) CA12CA1CA2CA4CA9
SCHEMBL15303825 0.91 HDAC4 (0.36) CA12CA1CA2CA4CA9
SCHEMBL22028164 0.90 GABRA5 (0.35) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL22028167 0.90 GABRA5 (0.35) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL21857662 0.90 SCN9A (0.34) CA12CA1CA2CA4CA9
SCHEMBL21857661 0.90 SCN9A (0.34) CA12CA1CA2CA4CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251340-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS GLAXOSMITHKLINE S.P.A. (IT) 2016-09-01 US disclosed
US-20160251340-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS GLAXOSMITHKLINE S.P.A. (IT) 2016-09-01 US disclosed
US-20140323508-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2014-10-30 US disclosed
US-20140323508-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2014-10-30 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 (2 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-20160251340-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNA3, KCND3, KCNN3 CA12 3629/4885CA1 1228/4885CA2 527/4885
US-20140323508-A1 NOVEL COMPOUNDS KCNN3, KCND3, KCNA3 CA12 3934/4885CA1 2187/4885CA2 920/4885

“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.