SCHEMBL2330447

SCHEMBL2330447

COC(=O)c1ccc(CC(=O)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.71
NPC1 O15118 5/20 0.71
RAB9A P51151 4/20 0.71
LMNA P02545 3/20 0.69
HTT P42858 3/20 0.69
KMT2A Q03164 4/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL224315 0.89 NPC1 (0.83) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL2334429 0.88 NPC1 (0.67) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL12446752 0.88 NPC1 (0.73) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL13966015 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL2331935 0.86 NPC1 (0.71) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL14156923 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL2538729 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL2328514 0.81 NPC1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL13975630 0.81 RAB9A (0.71) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL14157088 0.81 CA1 (0.70) SMN1; SMN2NPC1RAB9ALMNAHTT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 EP disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-9187447-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
CN-102869255-A Novel S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-01-09 CN disclosed
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 WO disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 WO disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 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 (5 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 SMN1; SMN2 4207/4885NPC1 2790/4885RAB9A 4009/4885
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR SMN1; SMN2 4391/4885NPC1 2185/4885RAB9A 3507/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR SMN1; SMN2 4391/4885NPC1 2185/4885RAB9A 3507/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR SMN1; SMN2 4391/4885NPC1 2185/4885RAB9A 3507/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 SMN1; SMN2 4207/4885NPC1 2790/4885RAB9A 4009/4885

“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.