SCHEMBL799372

SCHEMBL799372

CC(C#N)NC(=O)c1ccccc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCL2 P10415 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL799166 0.80 KCNK3 (0.53) KCNK3KCNK9LMNAALDH1A1KMT2A
SCHEMBL27021670 0.79 KCNK3 (0.46) KCNK3KCNK9LMNAALDH1A1KMT2A
SCHEMBL7723710 0.77 CTSL (0.54) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL30827957 0.77 CTSL (0.54) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL10551481 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL27744255 0.75 ALDH1A1 (0.39) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL798983 0.75 KMT2A (0.54) KCNK3KCNK9LMNAALDH1A1KMT2A
SCHEMBL22570394 0.74 GAA (0.55) KCNK3KCNK9LMNAKMT2AKDM4E
SCHEMBL8195324 0.74 GAA (0.57) KCNK3KCNK9LMNAKMT2ABCL2
SCHEMBL30183388 0.74 GAA (0.57) KCNK3KCNK9LMNAKMT2ABCL2

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KCNK3 4327/4885KCNK9 4243/4885LMNA 4258/4885

“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.