SCHEMBL833119

SCHEMBL833119

COc1cccc(CCOc2ccc(C(=O)NCC(=O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MMP13 P45452 3/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NPC1 O15118 4/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 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
SCHEMBL833413 0.87 NPC1 (0.56) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL835721 0.85 MEN1 (0.68) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL833657 0.84 RAB9A (0.49) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL835060 0.82 MAPK14 (0.59) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL832672 0.81 MEN1 (0.53) RAB9AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL834879 0.79 MEN1 (0.67) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL832054 0.79 NPC1 (0.62) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6713826 0.79 RAB9A (0.70) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27693961 0.79 NR1H4 (0.55) RAB9AMEN1KMT2ASMN1; SMN2CA1
SCHEMBL835138 0.79 MEN1 (0.67) RAB9AMEN1KMT2ASMN1; SMN2HPGD

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 2854/4885MEN1 691/4885KMT2A 4205/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S RAB9A 2854/4885MEN1 691/4885KMT2A 4205/4885

“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.