SCHEMBL834504

SCHEMBL834504

O=C(O)CNC(=O)c1ccc(OCC2Cc3ccccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
TAOK1 Q7L7X3 3/20 0.45
MMP1 P03956 1/20 0.45
USP5 P45974 1/20 0.44
TAOK3 Q9H2K8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL835751 0.85 PARP15 (0.59) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL833910 0.83 PARP15 (0.61) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL4363408 0.83 PARP15 (0.61) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL834879 0.78 MEN1 (0.67) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL1222408 0.75 ITGB3 (0.73) ITGB3ITGA2BKDM4EMAPTNR1H4
SCHEMBL833438 0.75 ATM (0.52) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL1222467 0.74 MMP1 (0.74) ATMKDM4EMAPTHIF1ASLC22A6
SCHEMBL833572 0.74 POLB (0.53) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL835721 0.73 MEN1 (0.68) ATMITGB3ITGA2BKDM4EMAPT
SCHEMBL833376 0.73 POLB (0.52) ATMITGB3ITGA2BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-101272774-B Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD 2011-06-08 CN disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
CN-101272774-A Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD (JP) 2008-09-24 CN 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 (2 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ATM 181/4885ITGB3 2545/4885ITGA2B 3214/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885ITGB3 2545/4885ITGA2B 3214/4885

“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.