SCHEMBL21342896

SCHEMBL21342896

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2ccc(=O)[nH]c2)N=C1/C=C/c1ccc(=O)[nH]c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
GPR119 Q8TDV5 1/20 0.33
BCHE P06276 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL21342936 0.91 ALDH1A1 (0.34) IDH1GPR119KDM4E
SCHEMBL21342501 0.91 IDH1 (0.33) IDH1GPR119KDM4E
SCHEMBL21342166 0.89 IDH1 (0.31) IDH1GPR119
SCHEMBL21342891 0.89 MEN1 (0.33) IDH1GPR119KDM4E
SCHEMBL21342500 0.87 KMT2A (0.41) KDM4E
SCHEMBL21342893 0.87 IDH1 (0.31) IDH1
SCHEMBL21342486 0.86 KMT2A (0.40) KDM4E
SCHEMBL21342502 0.83 POLB (0.32) KDM4E
SCHEMBL21342160 0.83 POLB (0.32) KDM4E
SCHEMBL23172953 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers PENN STATE RES FOUND (US) 2021-04-01 US disclosed
WO-2019173607-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS THE PENN STATE RESEARCH FOUNDATION (US) 2019-09-12 WO 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-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers HSPBP1, HTT, HSPA5 IDH1 1665/4885GPR119 4731/4885BCHE 3326/4885

“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.