SCHEMBL21342501

SCHEMBL21342501

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2ccc(=O)[nH]c2)N=C1/C=C/c1ccsc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.30
GPR119 Q8TDV5 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 0.96 ALDH1A1 (0.34) IDH1PPARAKDM4EALDH1A1LMNA
SCHEMBL21342896 0.91 IDH1 (0.36) IDH1KDM4EGPR119
SCHEMBL23173051 0.90 ALDH1A1 (0.39) PPARAKDM4EALDH1A1LMNATDP1
SCHEMBL21342893 0.86 IDH1 (0.31) IDH1
SCHEMBL21342161 0.83 PPARA (0.33) PPARAKDM4E
SCHEMBL21342891 0.82 MEN1 (0.33) IDH1KDM4EGPR119
SCHEMBL21342897 0.82 MEN1 (0.39) KDM4EALDH1A1LMNAMAPT
SCHEMBL23172862 0.81 PPARA (0.33) IDH1PPARAGPR119
SCHEMBL21342933 0.81 ALDH1A1 (0.33) KDM4EALDH1A1LMNATDP1L3MBTL1
SCHEMBL21342934 0.81 MEN1 (0.39) KDM4EALDH1A1LMNATDP1L3MBTL1

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 1665/4885PPARA 4410/4885KDM4E 4499/4885

“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.