SCHEMBL4529177

SCHEMBL4529177

CC(C)(C)CNc1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
KDM4A O75164 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MALT1 Q9UDY8 1/20 0.41
HDAC1 Q13547 2/20 0.41
BCHE P06276 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NQO2 P16083 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL28131286 0.84 KCNA5 (0.50) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL8235396 0.84 KCNA5 (0.50) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL8018113 0.83 KCNA5 (0.56) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL30159605 0.83 KCNA5 (0.56) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL29075936 0.83 KCNA5 (0.47) KCNA5KDM4ALMNAPOLBMALT1
SCHEMBL17148431 0.80 NAMPT (0.49) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL27419988 0.80 KCNA5 (0.46) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL13853697 0.80 POLB (0.52) KCNA5KDM4ALMNAPOLBNAMPT
SCHEMBL12279905 0.80 ALDH1A1 (0.51) KCNA5KDM4ALMNAPOLBMALT1
SCHEMBL17141855 0.79 NAMPT (0.48) KCNA5KDM4ALMNAPOLBNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 KCNA5 456/4885KDM4A 2449/4885LMNA 3887/4885

“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.