SCHEMBL833906

SCHEMBL833906

COc1ccc(CCOc2ccc(C(=O)N/C(=C/c3ccc(Cl)cc3)C(=O)NCCO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
BRD4 O60885 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL833907 1.00 NPC1 (0.61) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL833905 1.00 NPC1 (0.61) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL833362 0.95 NPC1 (0.54) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL833772 0.95 NPC1 (0.54) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL833363 0.95 NPC1 (0.54) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL12015282 0.93 TDP1 (0.55) NPC1ALDH1A1KDM4EMAPTTDP1
SCHEMBL833003 0.93 NPC1 (0.52) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL12015302 0.93 TDP1 (0.55) NPC1ALDH1A1KDM4EMAPTTDP1
SCHEMBL833002 0.93 NPC1 (0.52) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL833001 0.93 NPC1 (0.52) NPC1ALDH1A1GAAKDM4EMAPT

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 11 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 claimed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP claimed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US claimed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US claimed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 EP claimed
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 NPC1 2722/4885ALDH1A1 75/4885GAA 2083/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885ALDH1A1 75/4885GAA 2083/4885

“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.