SCHEMBL2331982

SCHEMBL2331982

CCOC(=O)c1ccc(-c2c(C3CCCC3)oc3cc(OC(=O)C4CCCC4)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ TNKS O95271 1/20 0.41
▸ THRB P10828 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ FDFT1 P37268 1/20 0.36

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
SCHEMBL2333853 0.72 ALDH1A1 (0.48) KMT2AKDM4EHPGDHTTALDH1A1
SCHEMBL4544912 0.70 RAB9A (0.58) KMT2AKDM4EHPGDHTTALDH1A1
SCHEMBL2337234 0.70 KDM4E (0.47) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL2331243 0.70 ALDH1A1 (0.45) KMT2AKDM4EHPGDHTTALDH1A1
SCHEMBL2332179 0.69 ALDH1A1 (0.44) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL13836188 0.67 MAPT (0.52) KMT2AKDM4EHPGDHTTALDH1A1
SCHEMBL14510047 0.67 RAB9A (0.55) KMT2AKDM4EHTTALDH1A1L3MBTL1
SCHEMBL26186181 0.66 RAB9A (0.53) KMT2AKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL14185227 0.66 ESR1 (0.59) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL2334482 0.66 ALDH1A1 (0.52) KMT2AKDM4EHPGDALDH1A1MAPT

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 KMT2A 3462/4885KDM4E 2000/4885HPGD 98/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 KMT2A 3462/4885KDM4E 2000/4885HPGD 98/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 KMT2A 3462/4885KDM4E 2000/4885HPGD 98/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 KMT2A 3462/4885KDM4E 2000/4885HPGD 98/4885

“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.

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