SCHEMBL1883282

SCHEMBL1883282

COC(=O)c1cc(Br)c(=O)n(-c2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
KDM4E B2RXH2 3/20 0.75
HSD17B10 Q99714 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.74
GAA P10253 2/20 0.66
POLB P06746 1/20 0.66
TSHR P16473 1/20 0.66
LMNA P02545 1/20 0.56
MAPK10 P53779 4/20 0.55
PPARG P37231 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
USP2 O75604 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL28433852 0.85 HSD17B10 (0.66) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL26986639 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL1881976 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL198437 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL19511908 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL22923874 0.77 MEN1 (0.55) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL142307 0.77 KDM4E (0.53) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL924584 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL1883239 0.76 GRIA1 (0.54) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL21439171 0.75 FGFR1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1GAA

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-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
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP 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
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO 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 ALDH1A1 780/4885KDM4E 879/4885HSD17B10 2856/4885
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof GRIK1, GRIK2, GRIK5 ALDH1A1 758/4885KDM4E 798/4885HSD17B10 2086/4885
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG ALDH1A1 885/4885KDM4E 2880/4885HSD17B10 2214/4885
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 ALDH1A1 622/4885KDM4E 670/4885HSD17B10 1416/4885

“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.