SCHEMBL2825319

SCHEMBL2825319

COc1c(F)ccc2c(=O)c(C(=O)OB(F)F)cn(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
GSK3B P49841 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
TOP2A P11388 3/20 0.41
TOP2B Q02880 3/20 0.41
ADRB2 P07550 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2825321 0.90 KCNH2 (0.45) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL14940560 0.89 KCNH2 (0.49) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2601622 0.89 KCNH2 (0.44) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2601633 0.89 KCNH2 (0.44) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL13945289 0.87 ADRB2 (0.43) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL3129389 0.86 KDM4E (0.51) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL116421 0.85 KCNH2 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL116273 0.85 ADRB2 (0.52) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL13790031 0.85 KDM4E (0.49) KCNH2GSK3BKDM4EHPGDALDH1A1
Fluoride SCHEMBL4027252 0.84 KCNH2 (0.58) KCNH2GSK3BKDM4EHPGDALDH1A1

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
WO-2010093341-A1 C-7 ISOXAZOLINYL QUINOLONE/NAPHTHYRIDINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 WO disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US 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 (3 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KCNH2 2740/4885GSK3B 917/4885KDM4E 206/4885
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents CASP7, CYP3A7, NQO2 KCNH2 1777/4885GSK3B 984/4885KDM4E 3311/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KCNH2 2469/4885GSK3B 298/4885KDM4E 211/4885

“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.