SCHEMBL21342893

SCHEMBL21342893

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2ccc(=O)[nH]c2)N=C1/C=C/c1cscn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.31

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
SCHEMBL21342896 0.87 IDH1 (0.36) IDH1
SCHEMBL21342501 0.86 IDH1 (0.33) IDH1
SCHEMBL21342156 0.85 ALDH1A1 (0.35)
SCHEMBL21342936 0.84 ALDH1A1 (0.34) IDH1
SCHEMBL21342498 0.83
SCHEMBL21342487 0.81 KMT2A (0.38)
SCHEMBL21342166 0.80 IDH1 (0.31) IDH1
SCHEMBL21342891 0.80 MEN1 (0.33) IDH1
SCHEMBL21342500 0.79 KMT2A (0.41)
SCHEMBL21342502 0.77 POLB (0.32)

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 1665/4885

“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.