SCHEMBL290635

SCHEMBL290635

COc1ccc(C(=O)c2coc3ccc(O)c(Br)c23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
NPC1 O15118 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 1/20 0.53
KMT2A Q03164 5/20 0.51
RAB9A P51151 3/20 0.51
PDF Q9HBH1 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
PKM P14618 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL801274 0.85 HTT (0.74) TSHRALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL299047 0.80 NPC1 (0.50) TSHRALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL290126 0.76 NPC1 (0.67) TSHRALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL18012070 0.74 NPC1 (0.85) TSHRALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL289081 0.74 NPC1 (1.00) TSHRALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL24149128 0.74 MAPT (0.65) ALDH1A1SMN1; SMN2NPSR1NPC1MAPT
SCHEMBL289532 0.73 NPC1 (0.57) TSHRALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL17997089 0.73 NPC1 (0.77) TSHRALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL288750 0.72 NPC1 (0.56) TSHRALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL588963 0.71 KMT2A (0.71) TSHRALDH1A1SMN1; SMN2NPSR1NPC1

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 TSHR 2939/4885ALDH1A1 3464/4885SMN1; SMN2 2520/4885

“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.