SCHEMBL289809

SCHEMBL289809

O=C(c1ccc(Cl)cc1)c1coc2c(Br)c(Br)c(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.68
SIRT1 Q96EB6 1/20 0.57
MAPT P10636 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.39
CREBBP Q92793 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL290225 0.88 PTGS2 (0.52) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL290073 0.87 PTGS2 (0.52) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL290295 0.86 PTGS2 (0.51) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL290323 0.86 PTGS2 (0.56) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL289170 0.83 PTGS2 (0.71) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL289532 0.83 NPC1 (0.57) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL290499 0.82 PTGS2 (0.47) PTGS2SIRT1MAPTRAB9ALMNA
SCHEMBL290149 0.80 PTGS2 (0.44) PTGS2SIRT1MAPTNPC1RAB9A
SCHEMBL290191 0.79 KMT2A (0.54) PTGS2MAPTNPC1RAB9ACASP3
SCHEMBL299578 0.79 SRD5A2 (0.46) PTGS2MAPTNPC1RAB9ANFKB1

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 6 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-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
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

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 PTGS2 2098/4885SIRT1 1438/4885MAPT 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.