SCHEMBL299187

SCHEMBL299187

O=C(c1ccc2c(c1)OCCO2)c1coc2c(Br)c(Br)c(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.43
CTNNB1 P35222 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL299578 0.93 SRD5A2 (0.46) PTGS2MAPTNPC1RAB9AHPGD
SCHEMBL289146 0.87 RAB9A (0.45) PTGS2MAPTCTNNB1NPC1RAB9A
SCHEMBL290225 0.80 PTGS2 (0.52) PTGS2MAPTNPC1RAB9AMEN1
SCHEMBL290073 0.79 PTGS2 (0.52) PTGS2MAPTTSHRNPC1RAB9A
SCHEMBL290295 0.79 PTGS2 (0.51) PTGS2MAPTNPC1RAB9AHPGD
SCHEMBL289809 0.79 PTGS2 (0.68) PTGS2MAPTTSHRNPC1RAB9A
SCHEMBL290323 0.78 PTGS2 (0.56) PTGS2MAPTNPSR1TSHRNPC1
SCHEMBL290525 0.76 PDF (0.53) PTGS2MAPTTSHRNPC1RAB9A
SCHEMBL289532 0.76 NPC1 (0.57) PTGS2MAPTNPSR1TSHRNPC1
SCHEMBL290558 0.76 RAB9A (0.45) PTGS2MAPTNPSR1NPC1RAB9A

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 2098/4885MAPT 3128/4885NPSR1 2690/4885

“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.