SCHEMBL801226

SCHEMBL801226

Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Cl)=C3Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 1.00
PDF Q9HBH1 10/20 0.75
MAPT P10636 5/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 5/20 0.67
MEN1 O00255 4/20 0.67
KDM4E B2RXH2 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
HPGD P15428 3/20 0.67
USP2 O75604 1/20 0.67
HSP90AA1 P07900 1/20 0.67
KDM5A P29375 1/20 0.56
HTT P42858 4/20 0.51
HKDC1 Q2TB90 3/20 0.51
LMNA P02545 3/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
CDC25C P30307 1/20 0.51
MPI P34949 1/20 0.51
TDP1 Q9NUW8 3/20 0.50

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
SCHEMBL299016 0.89 NR4A1 (0.80) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL290169 0.87 PDF (0.82) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL290290 0.86 PDF (1.00) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL290142 0.85 PDF (1.00) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL16994978 0.85 NR4A1 (0.73) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL801260 0.84 NR4A1 (0.72) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL289577 0.82 NR4A1 (0.70) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL16994982 0.80 PDF (0.83) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL290717 0.80 PDF (1.00) NR4A1PDFMAPTKMT2AALDH1A1
SCHEMBL13076843 0.79 NR4A1 (0.65) NR4A1PDFMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959898-A1 4,5-DIOXO-NAPHTHO[1,2-b]FURANS AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2015-12-30 EP disclosed
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 EP disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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 (2 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD NR4A1 4082/4885PDF 893/4885MAPT 3866/4885
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.