SCHEMBL877617

SCHEMBL877617

CC(=O)c1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc(C(C)=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.56
PKM P14618 2/20 0.56
ADH5 P11766 9/20 0.55
TACR3 P29371 6/20 0.55
MEN1 O00255 3/20 0.51
HTT P42858 3/20 0.47
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL876506 0.82 ADH5 (0.50) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL874258 0.81 KDM4E (0.59) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL1516315 0.80 ADH5 (0.51) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL877062 0.80 ADH5 (0.68) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL872766 0.80 ADH5 (0.73) ALDH1A1KMT2AL3MBTL1GAAPKM
SCHEMBL872928 0.78 KDM4E (0.59) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL877479 0.78 ADH5 (0.70) ALDH1A1KMT2AL3MBTL1GAAPKM
SCHEMBL1516268 0.76 ADH5 (0.51) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL873282 0.76 HTT (0.51) ALDH1A1KMT2AKDM4EL3MBTL1POLB
SCHEMBL877477 0.76 ADH5 (0.61) ALDH1A1KMT2AL3MBTL1GAAPKM

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 36 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
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
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 ALDH1A1 207/4885KMT2A 3962/4885KDM4E 3194/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ALDH1A1 207/4885KMT2A 3962/4885KDM4E 3194/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ALDH1A1 207/4885KMT2A 3962/4885KDM4E 3194/4885
US-20130131093-A1 Novel Dihydropyrimidin-2(1H)-One Compounds As Neurokinin-3 Receptor Antagonists TAC3, TACR2, TACR3 ALDH1A1 3061/4885KMT2A 1782/4885KDM4E 2905/4885

“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.