SCHEMBL360406

SCHEMBL360406

CCOc1cc(CO)cc(OCC)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 4/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
CREBBP Q92793 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5459316 0.85 EGFR (0.43) HTTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL1515806 0.84 APP (0.47) HTTALDH1A1TSHRGAAHSD17B10
SCHEMBL28715368 0.79 CREBBP (0.51) KMT2AALDH1A1TDP1TSHRGAA
SCHEMBL16954218 0.79 TDP1 (0.61) KMT2AHTTALDH1A1TDP1TSHR
SCHEMBL359510 0.78 ALDH1A1 (0.53) KMT2AALDH1A1TDP1TSHRGAA
SCHEMBL20562964 0.77 LMNA (0.43) KMT2AALDH1A1TDP1TSHRGAA
SCHEMBL6900910 0.77 CA12 (0.53) KMT2AALDH1A1TDP1GAASMN1; SMN2
SCHEMBL3574673 0.74 PTGS2 (0.50) ALDH1A1TSHRMAPK1LMNAHSD17B10
SCHEMBL2093998 0.74 KDM4E (0.47) KMT2AHTTALDH1A1TSHRGAA
SCHEMBL15567651 0.74 CYP3A4 (0.52) ALDH1A1HSD17B10ALOX15KDM4EHPGD

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 15 patents. 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 disclosed
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-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US 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
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 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
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-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
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 (5 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 KMT2A 3962/4885HTT 2410/4885ALDH1A1 207/4885
US-20130096161-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 KMT2A 2740/4885HTT 2870/4885ALDH1A1 751/4885
US-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 KMT2A 2740/4885HTT 2870/4885ALDH1A1 751/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KMT2A 3962/4885HTT 2410/4885ALDH1A1 207/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KMT2A 3962/4885HTT 2410/4885ALDH1A1 207/4885

“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.