SCHEMBL847806

SCHEMBL847806

CCCCOc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCOC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
TP53 P04637 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
BRD4 O60885 1/20 0.47

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
SCHEMBL14307654 0.84 NPC1 (0.51) NPC1TP53ALDH1A1KMT2ATDP1
SCHEMBL7828680 0.83 CYP3A4 (0.57) NPC1TP53ALDH1A1HPGDKMT2A
SCHEMBL7828683 0.83 CYP3A4 (0.57) NPC1TP53ALDH1A1HPGDKMT2A
SCHEMBL12015311 0.82 ALDH1A1 (0.59) NPC1TP53ALDH1A1HPGDKMT2A
SCHEMBL833905 0.81 NPC1 (0.61) NPC1ALDH1A1HPGDKMT2ACYP3A4
SCHEMBL833907 0.81 NPC1 (0.61) NPC1ALDH1A1HPGDKMT2ACYP3A4
SCHEMBL833003 0.81 NPC1 (0.52) NPC1TP53ALDH1A1HPGDKMT2A
SCHEMBL833002 0.81 NPC1 (0.52) NPC1TP53ALDH1A1HPGDKMT2A
SCHEMBL833906 0.81 NPC1 (0.61) NPC1ALDH1A1HPGDKMT2ACYP3A4
SCHEMBL833001 0.81 NPC1 (0.52) NPC1TP53ALDH1A1HPGDKMT2A

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 NPC1 2722/4885TP53 539/4885ALDH1A1 75/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885TP53 539/4885ALDH1A1 75/4885

“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.