SCHEMBL2704600

SCHEMBL2704600

NC(=O)c1c(F)ccc(OCc2nc(-c3ccccn3)cs2)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
GRM1 Q13255 5/20 0.41
TLR7 Q9NYK1 1/20 0.40
AGTR1 P30556 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR4A1 P22736 1/20 0.40
VCP P55072 1/20 0.40
CSNK2A1 P68400 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL201521 0.88 PPARD (0.49) NPC1LMNARAB9A
SCHEMBL2704582 0.84 MAPT (0.43) TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL2705816 0.83 L3MBTL1 (0.53) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL204423 0.83 L3MBTL1 (0.45) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2704589 0.83 PPARD (0.52) NPC1LMNARAB9A
SCHEMBL203683 0.82 POLB (0.43) VCP
SCHEMBL2707296 0.82 RAB9A (0.54) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL19210476 0.81 PPARD (0.42) NPC1LMNARAB9A
SCHEMBL17275068 0.81 NPC1 (0.38) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL201928 0.81 NPC1 (0.38) FFAR1TLR7NPC1LMNARAB9A

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 14 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-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

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 518/4885SQOR 542/4885GRM1 2083/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 FFAR1 754/4885SQOR 27/4885GRM1 1941/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 FFAR1 400/4885SQOR 541/4885GRM1 2211/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 FFAR1 754/4885SQOR 27/4885GRM1 1941/4885

“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.