SCHEMBL2331935

SCHEMBL2331935

COC(=O)c1ccc(CC(=O)c2ccc(OC)cc2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.71
RAB9A P51151 7/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
HPGD P15428 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP3A4 P08684 2/20 0.71
ATM Q13315 1/20 0.71
MAPK1 P28482 2/20 0.61
TP53 P04637 1/20 0.61
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
APP P05067 1/20 0.58
HSP90AA1 P07900 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ESR1 P03372 1/20 0.54
SHBG P04278 1/20 0.54

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
SCHEMBL2332007 0.89 HPGD (0.70) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL224762 0.89 NPC1 (0.88) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL4731182 0.87 NPC1 (0.86) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL2330447 0.86 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL38652442 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3817844 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3811897 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDMEN1
Ononetin SCHEMBL2948430 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDMEN1
Ononetin SCHEMBL30203900 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL29586539 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDMEN1

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 10 patents. 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
EP-2533637-B1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-03-26 EP disclosed
US-8669381-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE 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 (4 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 NPC1 2790/4885RAB9A 4009/4885SMN1; SMN2 4207/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 NPC1 2790/4885RAB9A 4009/4885SMN1; SMN2 4207/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 NPC1 2790/4885RAB9A 4009/4885SMN1; SMN2 4207/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 NPC1 2790/4885RAB9A 4009/4885SMN1; SMN2 4207/4885

“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.