SCHEMBL2849645

SCHEMBL2849645

C=C(C(=O)OCC)c1cnc2c(c1)OCCCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NNMT P40261 2/20 0.38
GRM5 P41594 2/20 0.36
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
MAPT P10636 5/20 0.33
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL22225994 0.79 GRM5 (0.45) ALDH1A1POLBSMN1; SMN2NNMTGRM5
SCHEMBL22225953 0.77 NNMT (0.43) ALDH1A1NNMTGRM5RAB9ANPC1
SCHEMBL21201865 0.77 NNMT (0.47) ALDH1A1POLBSMN1; SMN2NNMTGRM5
SCHEMBL13320457 0.76 TTR (0.41) ALDH1A1GRM5RAB9ANPC1HPGD
SCHEMBL2849647 0.76 TTR (0.41) ALDH1A1GRM5RAB9ANPC1HPGD
SCHEMBL22225988 0.74 NNMT (0.42) ALDH1A1NNMTGRM5RAB9ANPC1
SCHEMBL22227201 0.73 NNMT (0.46) ALDH1A1POLBSMN1; SMN2NNMTGRM5
SCHEMBL21201805 0.71 GRM5 (0.44) ALDH1A1NNMTGRM5ALOX5APFEN1
SCHEMBL22225998 0.71 HPGD (0.51) ALDH1A1POLBSMN1; SMN2NNMTHPGD
SCHEMBL14242971 0.70 GRM5 (0.48) NNMTGRM5KDM4EALOX5APFEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 WO 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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ALDH1A1 1379/4885POLB 1704/4885SMN1; SMN2 4763/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ALDH1A1 1379/4885POLB 1704/4885SMN1; SMN2 4763/4885

“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.