SCHEMBL847405

SCHEMBL847405

COc1ccc(/C=C(\NC(C)=O)C(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.76
KMT2A Q03164 6/20 0.60
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL847416 0.91 TDP1 (0.64) TDP1KMT2AMAPK1POLBMEN1
SCHEMBL12015276 0.87 KMT2A (0.75) TDP1KMT2APOLBMEN1ALDH1A1
SCHEMBL847400 0.87 KMT2A (0.78) TDP1KMT2APOLBMEN1ALDH1A1
SCHEMBL22645326 0.77 KMT2A (0.75) TDP1KMT2APOLBMEN1ALDH1A1
SCHEMBL7819967 0.74 ALDH1A1 (0.49) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7819965 0.74 ALDH1A1 (0.49) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL19043225 0.71 POLB (0.98) TDP1KMT2AMAPK1POLBMEN1
SCHEMBL17117359 0.70 MEN1 (0.61) TDP1KMT2AMAPK1POLBMEN1
SCHEMBL8655219 0.70 ALDH1A1 (0.52) ALDH1A1LMNAKDM4E
SCHEMBL10734447 0.70 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2

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 9 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
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-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-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 TDP1 1470/4885KMT2A 4205/4885MAPK1 1318/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S TDP1 1470/4885KMT2A 4205/4885MAPK1 1318/4885

“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.