SCHEMBL833135

SCHEMBL833135

O=C(O)CNC(=O)c1ccc(OCCn2cccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.53
ATM Q13315 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MMP1 P03956 2/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL834879 0.83 MEN1 (0.67) ATMITGB3ITGA2BMEN1KMT2A
SCHEMBL12894669 0.79 MMP1 (0.74) ATMMEN1KMT2AMMP1NPC1
SCHEMBL835053 0.79 PLK1 (0.67) ATMITGB3ITGA2BMEN1KMT2A
SCHEMBL835721 0.78 MEN1 (0.68) ATMITGB3ITGA2BMEN1KMT2A
SCHEMBL8663865 0.77 TBXAS1 (0.50) TBXAS1MEN1KMT2ALMNAGAA
SCHEMBL835138 0.77 MEN1 (0.67) ATMITGB3ITGA2BMEN1KMT2A
SCHEMBL835506 0.76 MEN1 (0.65) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL19781425 0.75 MMP1 (0.68) MEN1KMT2AMMP1NPC1RAB9A
SCHEMBL835577 0.75 ATM (0.57) ATMITGB3ITGA2BMEN1KMT2A
SCHEMBL1000025 0.75 MMP1 (0.68) MEN1KMT2AMMP1NPC1RAB9A

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 6 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
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US 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 TBXAS1 1268/4885ATM 181/4885ITGB3 2545/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S TBXAS1 1268/4885ATM 181/4885ITGB3 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.