SCHEMBL2945200

SCHEMBL2945200

COc1ccc2cc(C(=O)O)c(C)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KDM4E B2RXH2 11/20 0.58
HPGD P15428 5/20 0.56
POLB P06746 4/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC16A3 O15427 1/20 0.51
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGDS O60760 2/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL12167116 0.88 KDM4E (0.76) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL28532626 0.84 KDM4E (0.52) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL7064360 0.84 KDM4E (0.52) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL31055812 0.84 KDM4E (0.52) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL621720 0.83 KDM4E (0.58) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL1574317 0.82 KDM4E (0.80) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL5234472 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL5208343 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL635539 0.80 PTGS1 (0.52) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL16047470 0.79 ALDH1A1 (0.73) ALDH1A1POLBHSD17B10SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970125-B1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-07-18 EP disclosed
US-9956213-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-05-01 US disclosed
US-20170312263-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE LLC 2017-11-02 US disclosed
US-9675605-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-06-13 US disclosed
US-20160074377-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE, LLC 2016-03-17 US disclosed
EP-2970125-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2016-01-20 EP disclosed
US-9150572-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-10-06 US disclosed
US-9102674-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-08-11 US disclosed
US-20140315944-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE LLC 2014-10-23 US disclosed
WO-2014158916-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE, LLC (US) 2014-10-02 WO disclosed
EP-1902050-A1 OXAZOLIDINONE DERIVATIVES AND USE THEREOF AS ANTIBIOTICS FERRER INTERNACIONAL, S.A. (ES) 2008-03-26 EP disclosed
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP disclosed
EP-1745784-A1 Oxazolidinone derivatives and use thereof as antibiotics FERRER INTERNACIONAL, S.A. (ES) 2007-01-24 EP disclosed
EP-1745784-A1 Oxazolidinone derivatives and use thereof as antibiotics FERRER INTERNACIONAL, S.A. (ES) 2007-01-24 EP disclosed
WO-2007000432-A1 OXAZOLIDINONE DERIVATIVES AND USE THEREOF AS ANTIBIOTICS FERRER INTERNACIONAL, S. A. (ES) 2007-01-04 WO disclosed
WO-2007000432-A1 OXAZOLIDINONE DERIVATIVES AND USE THEREOF AS ANTIBIOTICS FERRER INTERNACIONAL, S. A. (ES) 2007-01-04 WO disclosed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US disclosed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20160074377-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS MAOB, MAOA, PNMT ALDH1A1 819/4885KDM4E 1441/4885HPGD 2206/4885
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases HIPK3, HIPK1, HYPK ALDH1A1 3983/4885KDM4E 2924/4885HPGD 1852/4885
US-20170312263-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS MAOB, MAOA, PNMT ALDH1A1 841/4885KDM4E 1487/4885HPGD 2202/4885
US-20140315944-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS MAOB, MAOA, PNMT ALDH1A1 841/4885KDM4E 1487/4885HPGD 2202/4885

“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.