SCHEMBL805345

SCHEMBL805345

CC1=C(Br)C(=O)C(=O)c2c(C(=O)c3ccc(Cl)cc3)coc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.61
PDF Q9HBH1 11/20 0.60
MAPT P10636 6/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
HSP90AA1 P07900 1/20 0.54
KDM5A P29375 1/20 0.51
HTT P42858 4/20 0.49
HKDC1 Q2TB90 3/20 0.49
LMNA P02545 3/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
MPI P34949 1/20 0.49
MAPK1 P28482 2/20 0.48

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
SCHEMBL805351 0.91 NR4A1 (0.60) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL290646 0.89 PDF (0.70) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL13076843 0.88 NR4A1 (0.65) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL13076411 0.85 NR4A1 (0.62) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL16994958 0.82 NR4A1 (0.52) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL299016 0.81 NR4A1 (0.80) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL13077069 0.78 PDF (0.59) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL805350 0.77 MAPT (0.64) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL290557 0.77 PDF (0.72) NR4A1PDFMAPTMEN1ALDH1A1
SCHEMBL801226 0.76 NR4A1 (1.00) NR4A1PDFMAPTMEN1ALDH1A1

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E NR4A1 3610/4885PDF 1/4885MAPT 3128/4885

“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.