SCHEMBL2845156

SCHEMBL2845156

CNC(=O)C=CCc1sc2ccccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
DHODH Q02127 1/20 0.39
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD11B1 P28845 1/20 0.38
LIMK1 P53667 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
OGG1 O15527 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL6118386 0.75 ALDH1A1 (0.41) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL4775813 0.73 LOXL2 (0.42) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL7984828 0.71 TAS1R3 (0.41) TAS1R3TAS1R1DHODHPRNPRXFP1
SCHEMBL586189 0.70 PRNP (0.49) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL12359739 0.70 PRNP (0.45) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL30693720 0.70 PRNP (0.49) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL11199425 0.70 TAS1R3 (0.45) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL1253465 0.70 TAS1R3 (0.47) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL8701086 0.70 MAOB (0.50) LMNAALDH1A1HPGD
SCHEMBL586085 0.69 GPR3 (0.44) TAS1R3TAS1R1PRNPRXFP1HSD11B1

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 10 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
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP 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
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI TAS1R3 3153/4885TAS1R1 3637/4885DHODH 1140/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC TAS1R3 1343/4885TAS1R1 1189/4885DHODH 3084/4885

“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.