SCHEMBL835138

SCHEMBL835138

O=C(O)CNC(=O)c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
FFAR1 O14842 2/20 0.61
S1PR1 P21453 4/20 0.56
S1PR3 Q99500 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
PLA2G4B P0C869 1/20 0.53
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
MMP1 P03956 1/20 0.52

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
SCHEMBL835506 0.96 MEN1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL835721 0.93 MEN1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL834879 0.87 MEN1 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1222408 0.84 ITGB3 (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4658085 0.84 PLA2G4B (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27693961 0.84 NR1H4 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12894669 0.82 MMP1 (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL833975 0.82 ITGB3 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22192243 0.82 NR1H4 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL832054 0.81 NPC1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 MEN1 691/4885KMT2A 4205/4885NPC1 2722/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S MEN1 691/4885KMT2A 4205/4885NPC1 2722/4885

“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.