SCHEMBL2332389

SCHEMBL2332389

COC(=O)c1ccc(CC(=O)c2cc(Br)c(OC)cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK10 P53779 1/20 0.43
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL2336074 0.90 CCR6 (0.49) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL6091434 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL6091917 0.84 SMN1; SMN2 (0.65) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL2330447 0.80 SMN1; SMN2 (0.71) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL13966015 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL6091950 0.78 LMNA (0.53) SMN1; SMN2MAPTNPC1HTTKDM4E
SCHEMBL2334826 0.77 HSP90AA1 (0.53) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL383036 0.76 GAA (0.53) MAPTHTTKDM4ECYP1A2CYP3A4
SCHEMBL6093398 0.76 TNFRSF1A (0.50) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL5623211 0.76 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1RAB9AHTT

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 12 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
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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 4207/4885MAPT 3897/4885NPC1 2790/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 SMN1; SMN2 4207/4885MAPT 3897/4885NPC1 2790/4885
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 SMN1; SMN2 2250/4885MAPT 1784/4885NPC1 95/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 SMN1; SMN2 4207/4885MAPT 3897/4885NPC1 2790/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 SMN1; SMN2 4207/4885MAPT 3897/4885NPC1 2790/4885

“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.