SCHEMBL2336074

SCHEMBL2336074

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
HSP90AA1 P07900 1/20 0.47
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HMGCR P04035 1/20 0.43
ALOX12 P18054 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2332389 0.90 SMN1; SMN2 (0.46) CCR6HKDC1NPC1SMN1; SMN2RAB9A
SCHEMBL5623211 0.87 SMN1; SMN2 (0.57) HSP90AA1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2334826 0.86 HSP90AA1 (0.53) HSP90AA1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2333599 0.78 MAPT (0.53) CCR6HKDC1HSP90AA1NPC1SMN1; SMN2
SCHEMBL2331325 0.78 HSP90AA1 (0.50) HSP90AA1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2331935 0.78 NPC1 (0.71) HSP90AA1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10692871 0.78 HTT (0.50) SMN1; SMN2ALDH1A1CYP3A4HPGDMAPT
SCHEMBL31587771 0.78 HTT (0.50) SMN1; SMN2ALDH1A1CYP3A4HPGDMAPT
SCHEMBL2332007 0.78 HPGD (0.70) HKDC1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL6091950 0.76 LMNA (0.53) CCR6HKDC1NPC1SMN1; SMN2ALDH1A1

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 CCR6 4872/4885HKDC1 2062/4885HSP90AA1 1813/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CCR6 4872/4885HKDC1 2062/4885HSP90AA1 1813/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CCR6 4872/4885HKDC1 2062/4885HSP90AA1 1813/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CCR6 4872/4885HKDC1 2062/4885HSP90AA1 1813/4885

“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.