SCHEMBL833413

SCHEMBL833413

COc1ccc(CCOc2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.53
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.52
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP1 P03956 1/20 0.50
LMNA P02545 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
SCHEMBL832054 0.90 NPC1 (0.62) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL833975 0.88 ITGB3 (0.56) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL835721 0.88 MEN1 (0.68) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL833266 0.87 NPC1 (0.55) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL833119 0.87 RAB9A (0.57) NPC1KMT2AMEN1RAB9AALDH1A1
SCHEMBL833394 0.86 RAB9A (0.53) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL833992 0.86 ATM (0.56) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL2796671 0.86 ALDH1A1 (0.67) NPC1KMT2AMEN1RAB9AALDH1A1
SCHEMBL833616 0.85 ITGB3 (0.53) NPC1ITGB3ITGA2BKMT2AMEN1
SCHEMBL834146 0.85 MEN1 (0.55) NPC1ITGB3ITGA2BKMT2AMEN1

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
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP 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-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 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-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 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 (3 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 NPC1 2349/4885ITGB3 2667/4885ITGA2B 3988/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S NPC1 2722/4885ITGB3 2545/4885ITGA2B 3214/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885ITGB3 2545/4885ITGA2B 3214/4885

“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.