SCHEMBL801400

SCHEMBL801400

COc1cc(C(=O)c2coc3c2C(=O)C(=O)C=C3Br)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 10/20 0.71
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL801241 0.87 PDF (0.73) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL13077062 0.86 PDF (0.71) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL290648 0.83 PDF (1.00) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL290315 0.81 PDF (1.00) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL801722 0.80 PDF (0.63) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL288858 0.79 PDF (1.00) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL299173 0.78 PDF (0.69) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL801284 0.77 PDF (0.66) PDFMAPT
SCHEMBL801885 0.76 PDF (0.71) PDFMAPTKDM4EMAPK1RAB9A
SCHEMBL16994921 0.74 PDF (0.67) PDFMAPTKDM4EMAPK1RAB9A

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 4 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
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

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 PDF 1/4885MAPT 3128/4885KDM4E 169/4885

“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.