SCHEMBL2334826

SCHEMBL2334826

COC(=O)c1ccc(CC(=O)c2cc(OC)c(O)cc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
HPGD P15428 3/20 0.49
CYP3A4 P08684 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 6/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 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
SCHEMBL4406235 0.86 MEN1 (0.61) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2336074 0.86 CCR6 (0.49) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2331325 0.84 HSP90AA1 (0.50) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2333599 0.84 MAPT (0.53) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL12950516 0.83 HSP90AA1 (0.55) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2331935 0.81 NPC1 (0.71) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2332007 0.81 HPGD (0.70) ALDH1A1SMN1; SMN2NPC1HPGDCYP3A4
SCHEMBL13966015 0.78 SMN1; SMN2 (0.53) HSP90AA1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL2330447 0.78 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2NPC1HPGDCYP3A4
SCHEMBL2332389 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NPC1CYP3A4RAB9A

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 HSP90AA1 1813/4885ALDH1A1 363/4885SMN1; SMN2 4207/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HSP90AA1 1813/4885ALDH1A1 363/4885SMN1; SMN2 4207/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HSP90AA1 1813/4885ALDH1A1 363/4885SMN1; SMN2 4207/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HSP90AA1 1813/4885ALDH1A1 363/4885SMN1; 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.