SCHEMBL289885

SCHEMBL289885

COc1ccc(C(=O)c2coc3ccc(O)cc23)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.74
NPC1 O15118 6/20 0.73
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
LMNA P02545 4/20 0.68
HPGD P15428 3/20 0.68
HTT P42858 2/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 3/20 0.66
RAB9A P51151 4/20 0.62
CASP3 P42574 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
SENP8 Q96LD8 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
TSHR P16473 2/20 0.56

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
SCHEMBL289568 0.87 SIRT1 (0.70) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL289081 0.84 NPC1 (1.00) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL27861098 0.79 SIRT1 (0.84) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL2915316 0.77 NPC1 (1.00) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL5709982 0.76 CYP3A4 (0.64) NPC1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL30375018 0.76 CYP3A4 (0.64) NPC1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL289145 0.76 SIRT1 (0.81) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL18012070 0.74 NPC1 (0.85) SIRT1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL290614 0.74 PDF (0.53) SIRT1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL299183 0.74 PTGS2 (0.65) SIRT1NPC1MAPTSMN1; SMN2ALDH1A1

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 SIRT1 1438/4885NPC1 1866/4885MAPT 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.