SCHEMBL202596

SCHEMBL202596

NC(=O)c1c(F)ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.59
NPSR1 Q6W5P4 1/20 0.47
GSTP1 P09211 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA2B P29275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL202775 0.89 GSTP1 (0.56) FFAR1GSTP1MAPTS1PR1
SCHEMBL203371 0.89 MAPT (0.47) FFAR1GSTP1MAPTTP53SMN1; SMN2
SCHEMBL203805 0.88 FFAR1 (0.56) FFAR1MAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL203129 0.86 MAPT (0.53) FFAR1GSTP1MAPTTP53SMN1; SMN2
SCHEMBL202214 0.85 MAPT (0.58) FFAR1MAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL201335 0.84 L3MBTL1 (0.64) FFAR1GSTP1MAPTTP53SMN1; SMN2
SCHEMBL201796 0.82 GSTP1 (0.52) FFAR1GSTP1MAPTTP53SMN1; SMN2
SCHEMBL202105 0.82 GSTP1 (0.55) FFAR1GSTP1MAPTSMN1; SMN2L3MBTL1
SCHEMBL203466 0.82 KDM4E (0.56) MAPTTP53SMN1; SMN2L3MBTL1MAPK1
SCHEMBL2315029 0.82 TP53 (0.53) FFAR1GSTP1MAPTTP53SMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 FFAR1 518/4885NPSR1 2415/4885GSTP1 1383/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 FFAR1 754/4885NPSR1 1554/4885GSTP1 311/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 FFAR1 400/4885NPSR1 1597/4885GSTP1 1260/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 FFAR1 754/4885NPSR1 1554/4885GSTP1 311/4885

“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.