SCHEMBL289081

SCHEMBL289081

COc1ccc(C(=O)c2coc3ccc(O)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 4/20 0.73
SIRT1 Q96EB6 5/20 0.73
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HTT P42858 2/20 0.71
HPGD P15428 2/20 0.71
KDM4E B2RXH2 1/20 0.71
POLB P06746 1/20 0.71
RAB9A P51151 4/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CASP3 P42574 1/20 0.69
SENP8 Q96LD8 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69

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
SCHEMBL18012070 0.90 NPC1 (0.85) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL289885 0.84 SIRT1 (0.74) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL17997089 0.83 NPC1 (0.77) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL16541098 0.82 RAB9A (1.00) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL588963 0.82 KMT2A (0.71) NPC1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL2915316 0.82 NPC1 (1.00) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL289568 0.82 SIRT1 (0.70) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL289145 0.81 SIRT1 (0.81) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL12487642 0.81 NPC1 (0.68) NPC1SMN1; SMN2MAPTKMT2ASIRT1
SCHEMBL12325869 0.81 NPC1 (0.74) NPC1SMN1; SMN2MAPTKMT2ASIRT1

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 NPC1 1866/4885SMN1; SMN2 2520/4885MAPT 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.