SCHEMBL833001

SCHEMBL833001

CCOc1ccc(/C=C(\NC(=O)c2ccc(OCCc3ccc(Cl)cc3)cc2)C(=O)NCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL833003 1.00 NPC1 (0.52) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833002 1.00 NPC1 (0.52) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833363 0.95 NPC1 (0.54) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833362 0.95 NPC1 (0.54) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833772 0.95 NPC1 (0.54) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833905 0.93 NPC1 (0.61) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL12015282 0.93 TDP1 (0.55) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL12015302 0.93 TDP1 (0.55) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833906 0.93 NPC1 (0.61) NPC1KDM4EALDH1A1TDP1KMT2A
SCHEMBL833907 0.93 NPC1 (0.61) NPC1KDM4EALDH1A1TDP1KMT2A

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 10 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
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-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
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 2722/4885KDM4E 4414/4885ALDH1A1 75/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885KDM4E 4414/4885ALDH1A1 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.