SCHEMBL1884490

SCHEMBL1884490

O=c1c(-c2ccccc2-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)cn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
RAB9A P51151 10/20 0.47
NPC1 O15118 8/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
GAA P10253 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
S1PR2 O95136 4/20 0.47
HPGD P15428 4/20 0.47
GLA P06280 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
DUSP3 P51452 1/20 0.46

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
SCHEMBL1888174 0.90 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1884438 0.83 GRIA1 (0.57) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1884283 0.77 AGPAT2 (0.44) GRIA1GRIA3PDE4D
SCHEMBL12854008 0.74 KDM4E (0.72) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL231307 0.72 KDM4E (0.75) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4412613 0.71 RAB9A (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1885251 0.71 GRIA1 (0.51) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3221018 0.70 RAB9A (0.51) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1883101 0.69 TP53 (0.54) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29690082 0.69 RAB9A (0.56) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939549-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-10 US disclosed
US-7759367-B2 1,2-dihydropiridin-2-one compounds such as 3-(2-cyanophenyl)-1-phenyl-5-(2-pyridyl)-1,2-dihydropyridin-2-one, used as immunomodulators or antiinflammatory agents, and for the prevention or treatment of neurodegenerative diseases, such as demyelinating disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-20 US disclosed
EP-2177520-A1 1,5-Di(aryl or heteroaryl)-3-halo-2(1H)-pyridones as intermediates for the preparation of AMPA receptor inhibitors Eisai R&D Management Co., Ltd. (JP) 2010-04-21 EP disclosed
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF NAGATO SATOSHI 2009-11-05 US disclosed
US-7563811-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-21 US disclosed
EP-2053041-A2 1,3,5-Trisubstituted 2(1H)-pyridones as AMPA receptor inhibitors useful for the treatment of eg Parkinson's disease Eisai R&D Management Co., Ltd. (JP) 2009-04-29 EP disclosed
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP disclosed
EP-1465626-B1 PHARMACEUTICAL COMPOSITIONS (KIT) COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY (OR AN ANTIINFLAMMATORY) AGENT AND THEIR USES EISAI R&D MAN CO LTD (JP) 2008-09-03 EP disclosed
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-6949571-B2 1,2-dihydropyridine compounds, process for preparation of the same and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof CATALYST PHARMACEUTICALS, INC. 2004-02-05 US disclosed
EP-1300396-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Eisai Co., Ltd. (JP) 2003-04-09 EP 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-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof GRIK1, GRIK2, GRIK4 KDM4E 879/4885RAB9A 2561/4885NPC1 3868/4885
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof GRIK1, GRIK2, GRIK5 KDM4E 798/4885RAB9A 2528/4885NPC1 4314/4885
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG KDM4E 2880/4885RAB9A 2602/4885NPC1 1760/4885
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 KDM4E 670/4885RAB9A 2201/4885NPC1 4196/4885

“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.