SCHEMBL833438

SCHEMBL833438

O=C(O)CNC(=O)c1ccc(OCCC2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.51
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
MMP1 P03956 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 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
SCHEMBL4363496 0.95 ATM (0.50) ATMPOLBITGB3ITGA2BMMP1
SCHEMBL833572 0.93 POLB (0.53) ATMPOLBITGB3ITGA2BMMP1
SCHEMBL833376 0.92 POLB (0.52) ATMPOLBITGB3ITGA2BMMP1
SCHEMBL835751 0.86 PARP15 (0.59) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL833684 0.82 ATM (0.46) ATMPOLBITGB3ITGA2BMMP1
SCHEMBL834879 0.81 MEN1 (0.67) ATMPOLBITGB3ITGA2BMMP1
SCHEMBL4363408 0.81 PARP15 (0.61) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL833910 0.81 PARP15 (0.61) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL833819 0.81 PKM (0.61)
SCHEMBL835053 0.80 PLK1 (0.67) ATMPOLBITGB3ITGA2BMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 ATM 4451/4885POLB 3764/4885ITGB3 2667/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ATM 181/4885POLB 3566/4885ITGB3 2545/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885POLB 3566/4885ITGB3 2545/4885

“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.