SCHEMBL833394

SCHEMBL833394

CN(C)c1ccc(CCOc2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
MCL1 Q07820 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
NPC1 O15118 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PPARG P37231 1/20 0.49
HTT P42858 1/20 0.49
MMP1 P03956 1/20 0.47
LMNA P02545 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
SCHEMBL833657 0.86 RAB9A (0.49) RAB9AMAPTALDH1A1KDM4ETSHR
SCHEMBL832054 0.86 NPC1 (0.62) RAB9AMAPTALDH1A1ITGB3ITGA2B
SCHEMBL833413 0.86 NPC1 (0.56) RAB9AMAPTALDH1A1KDM4EITGB3
SCHEMBL833975 0.85 ITGB3 (0.56) RAB9AMAPTALDH1A1KDM4EITGB3
SCHEMBL835721 0.84 MEN1 (0.68) RAB9AMAPTKDM4EITGB3ITGA2B
SCHEMBL833266 0.84 NPC1 (0.55) RAB9AMAPTALDH1A1ITGB3ITGA2B
SCHEMBL834837 0.83 BCL2 (0.53) RAB9AMAPTALDH1A1KDM4ETSHR
SCHEMBL833992 0.83 ATM (0.56) RAB9AMAPTALDH1A1KDM4EITGB3
SCHEMBL11246236 0.83 KDM4E (0.61) MAPTALDH1A1KDM4EKMT2AHTT
SCHEMBL834146 0.81 MEN1 (0.55) RAB9AMAPTITGB3ITGA2BNPC1

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 6 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
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 RAB9A 2854/4885MAPT 2207/4885ALDH1A1 75/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S RAB9A 2854/4885MAPT 2207/4885ALDH1A1 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.