SCHEMBL2316902

SCHEMBL2316902

NC(=O)c1c(F)ccc(OCc2cc3ccccc3s2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.50
CYP2A6 P11509 3/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ALOX5 P09917 5/20 0.39
PTGES O14684 2/20 0.39
PSEN1 P49768 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
IKBKB O14920 1/20 0.36
ADRB2 P07550 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP1A2 P05177 2/20 0.35
LTA4H P09960 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL202843 0.85 TNKS2 (0.36) AGXTCYP2A6LMNAHTT
SCHEMBL203047 0.84 MRGPRX4 (0.39) ALOX5PTGESPSEN1GAA
SCHEMBL204282 0.78 NPC1 (0.64) ALOX5NPC1RAB9ACYP1A2EPHX2
SCHEMBL202084 0.78 SLC1A3 (0.41) LMNAHTTGAA
SCHEMBL2705980 0.77 LMNA (0.49) ALOX5NPC1RAB9ALMNAHTT
SCHEMBL2707302 0.77 AGXT (0.50) AGXTLOXL2NPC1RAB9ALMNA
SCHEMBL19285699 0.76 KDM1A (0.50) NPC1LMNAHTT
SCHEMBL2321732 0.75 CYP2A6 (0.42) CYP2A6LMNAHTT
SCHEMBL14777207 0.75 AGXT (0.53) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL202848 0.75 TNKS2 (0.37) RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN claimed
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
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN 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-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
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
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 (3 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-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 AGXT 3811/4885CYP2A6 892/4885ASIC3 2159/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 AGXT 2767/4885CYP2A6 1843/4885ASIC3 2459/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 AGXT 3811/4885CYP2A6 892/4885ASIC3 2159/4885

“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.