SCHEMBL847490

SCHEMBL847490

CCN(CC)CCNC(=O)/C(=C/c1ccc(OC(C)=O)cc1)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
MAPT P10636 3/20 0.44
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 2/20 0.40
NFKB1 P19838 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
OPRK1 P41145 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL847415 0.85 KMT2A (0.45) ALDH1A1CYP2D6CYP3A4NFKB1KCNH2
SCHEMBL847144 0.84 KMT2A (0.49) ALDH1A1CYP2D6CYP3A4NFKB1KCNH2
SCHEMBL847416 0.75 TDP1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11183020 0.75 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL11719071 0.75 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL847480 0.72 MAPK1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL847404 0.72 SMN1; SMN2 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7828248 0.71 ALDH1A1 (0.59) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL7828244 0.71 ALDH1A1 (0.59) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL7513935 0.68 MAPK1 (0.52) ALDH1A1MAPTCYP1A2MEN1KMT2A

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
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

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 ALDH1A1 75/4885MAPT 2207/4885CYP2D6 26/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ALDH1A1 75/4885MAPT 2207/4885CYP2D6 26/4885

“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.