SCHEMBL290614

SCHEMBL290614

COc1ccc(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
PTGS2 P35354 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIRT1 Q96EB6 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 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
SCHEMBL290051 0.87 PDF (0.52) PDFMAPTPTGS2TUBB4ATUBB
SCHEMBL289724 0.85 NPC1 (0.57) PDFMAPTGAAPTGS2TSHR
SCHEMBL289859 0.85 LMNA (0.49) PDFMAPTALDH1A1PTGS2TSHR
SCHEMBL290525 0.83 PDF (0.53) PDFMAPTALDH1A1GAAPTGS2
SCHEMBL299183 0.83 PTGS2 (0.65) PDFMAPTALDH1A1GAAPTGS2
SCHEMBL289564 0.81 PTGS2 (0.54) MAPTALDH1A1GAAPTGS2TSHR
SCHEMBL289170 0.81 PTGS2 (0.71) MAPTALDH1A1GAAPTGS2TSHR
SCHEMBL16994939 0.81 PDF (0.50) PDFMAPTALDH1A1GAAPTGS2
SCHEMBL290348 0.80 PTGS2 (0.59) MAPTALDH1A1GAAPTGS2CYP2C9
SCHEMBL290273 0.78 PTGS2 (0.64) PDFMAPTALDH1A1GAAPTGS2

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 11 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-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
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 EP disclosed
US-8614237-B2 Benzofuran-4,5-diones as selective peptide deformylase inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-12-24 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
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
EP-2427057-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2012-03-14 EP 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
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 3128/4885ALDH1A1 3464/4885

“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.