SCHEMBL833975

SCHEMBL833975

O=C(O)CNC(=O)c1ccc(OCCc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
ATM Q13315 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR4A2 P43354 1/20 0.50
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.48
FAAH O00519 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MMP1 P03956 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL835721 0.89 MEN1 (0.68) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL834146 0.88 MEN1 (0.55) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL833266 0.88 NPC1 (0.55) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL833413 0.88 NPC1 (0.56) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL832054 0.88 NPC1 (0.62) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL833616 0.86 ITGB3 (0.53) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL833394 0.85 RAB9A (0.53) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL833992 0.85 ATM (0.56) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL832746 0.84 USP5 (0.52) ITGB3ITGA2BATMKMT2AMEN1
SCHEMBL26117094 0.83 ATM (0.63) ITGB3ITGA2BATMKMT2ARAB9A

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 ITGB3 2545/4885ITGA2B 3214/4885ATM 181/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ITGB3 2545/4885ITGA2B 3214/4885ATM 181/4885

“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.