SCHEMBL369166

SCHEMBL369166

CCOc1cc(C2CC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1OCOC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 15/20 0.55
TACR3 P29371 6/20 0.55
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL367693 0.86 ADH5 (0.74) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL369693 0.82 ADH5 (0.44) ADH5TACR3
SCHEMBL14859941 0.77 ADH5 (0.61) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL359253 0.73 ADH5 (0.47) ADH5TACR3ALDH1A1L3MBTL1
SCHEMBL17030644 0.73 ADH5 (0.51) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL368901 0.73 TSHR (0.37) ADH5TACR3
SCHEMBL877265 0.71 ADH5 (1.00) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL877264 0.71 ADH5 (1.00) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL1516396 0.71 ADH5 (1.00) ADH5TACR3ALDH1A1MEN1KMT2A
SCHEMBL369132 0.70 ADH5 (0.79) ADH5TACR3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283213-B2 Dihydropyridin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
EP-2592934-B1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS NIVALIS THERAPEUTICS INC (US) 2015-08-26 EP disclosed
US-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists NIVALIS THERAPEUTICS, INC. 2015-06-11 US disclosed
US-8946434-B2 Dihydropyridin-2(1H)-one compound as S-nirtosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists N30 PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
EP-2592934-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
US-20130096161-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists N30 PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
WO-2012009227-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-01-19 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 (2 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-20130096161-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 ADH5 136/4885TACR3 4/4885ALDH1A1 751/4885
US-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 ADH5 136/4885TACR3 4/4885ALDH1A1 751/4885

“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.