SCHEMBL21342891

SCHEMBL21342891

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2ccc(=O)[nH]c2)N=C1/C=C/c1cnc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 3/20 0.31
KDM4E B2RXH2 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL21342896 0.89 IDH1 (0.36) IDH1KDM4EGPR119
SCHEMBL21342933 0.85 ALDH1A1 (0.33) MEN1KMT2AKDM4EBLMNPSR1
SCHEMBL21342164 0.83 MEN1 (0.34) MEN1KMT2AKDM4EBLMNPSR1
SCHEMBL21342501 0.82 IDH1 (0.33) IDH1KDM4EGPR119
SCHEMBL21342893 0.80 IDH1 (0.31) IDH1
SCHEMBL21342500 0.80 KMT2A (0.41) MEN1KMT2AKDM4ENPSR1CYP3A4
SCHEMBL21342166 0.80 IDH1 (0.31) IDH1GPR119
SCHEMBL21342936 0.80 ALDH1A1 (0.34) MEN1KMT2AIDH1KDM4EGPR119
SCHEMBL21342502 0.77 POLB (0.32) MEN1KMT2AKDM4E
SCHEMBL21342486 0.76 KMT2A (0.40) MEN1KMT2AKDM4ECYP3A4

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 MEN1 4014/4885KMT2A 4328/4885IDH1 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.