SCHEMBL873145

SCHEMBL873145

O=C1NC(c2ccccc2)=C(c2ccccc2)C(c2ccc(C(=O)O)c([N+](=O)[O-])c2)N1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 9/20 0.59
TACR3 P29371 6/20 0.59
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL877062 0.87 ADH5 (0.68) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL877648 0.86 ADH5 (0.64) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL1516214 0.86 ADH5 (0.64) ADH5TACR3ALDH1A1MAPTGAA
SCHEMBL872928 0.84 KDM4E (0.59) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL877077 0.83 KDM4E (0.49) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL872938 0.83 KDM4E (0.49) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL874258 0.81 KDM4E (0.59) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL873058 0.81 KDM4E (0.47) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL877375 0.81 ADH5 (0.71) ADH5TACR3ALDH1A1KMT2AL3MBTL1
SCHEMBL877020 0.79 ADH5 (0.69) ADH5TACR3ALDH1A1KMT2AL3MBTL1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US claimed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US claimed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US claimed
US-8906933-B2 Dihydropyrimidin-2(1H)-one compounds as neurokinin-3 receptor antagonists N30 PHARMACEUTICALS, INC. (US) 2014-12-09 US claimed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US claimed
EP-2618666-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-07-31 EP claimed
US-20130131093-A1 Novel Dihydropyrimidin-2(1H)-One Compounds As Neurokinin-3 Receptor Antagonists N30 PHARMACEUTICALS, INC. (US) 2013-05-23 US claimed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US claimed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP claimed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO claimed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO claimed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ADH5 103/4885TACR3 500/4885ALDH1A1 207/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ADH5 103/4885TACR3 500/4885ALDH1A1 207/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ADH5 103/4885TACR3 500/4885ALDH1A1 207/4885
US-20130131093-A1 Novel Dihydropyrimidin-2(1H)-One Compounds As Neurokinin-3 Receptor Antagonists TAC3, TACR2, TACR3 ADH5 2365/4885TACR3 3/4885ALDH1A1 3061/4885

“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.