SCHEMBL2705641

SCHEMBL2705641

NC(=O)c1c(F)ccc(OCc2ccc3c(Br)cccc3n2)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
MRGPRX4 Q96LA9 4/20 0.35
STING1 Q86WV6 1/20 0.34
PTGFR P43088 1/20 0.34
PPARG P37231 1/20 0.34
SLC26A3 P40879 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL2705627 0.87 MRGPRX4 (0.40) CYSLTR1CYSLTR2GPBAR1MRGPRX4PPARG
SCHEMBL202543 0.83 GPBAR1 (0.48) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL202189 0.78 MRGPRX4 (0.42) MRGPRX4PDE10A
SCHEMBL2704592 0.77 MRGPRX4 (0.41) CYSLTR1CYSLTR2MRGPRX4
SCHEMBL2707218 0.76 CYSLTR1 (0.39) CYSLTR1CYSLTR2GPBAR1MRGPRX4PPARG
SCHEMBL2705947 0.76 MRGPRX4 (0.41) MRGPRX4
SCHEMBL2705948 0.75 MRGPRX4 (0.40) MRGPRX4PDE10A
SCHEMBL2706617 0.75 MRGPRX4 (0.41) CYSLTR1CYSLTR2MRGPRX4PDE10A
SCHEMBL2705942 0.75 CYSLTR1 (0.40) BACE1CYSLTR1CYSLTR2GPBAR1MRGPRX4
SCHEMBL2706569 0.74 HPGDS (0.43) CYSLTR1CYSLTR2GPBAR1PPARGPDE10A

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 13 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-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
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 BACE1 2803/4885CYSLTR1 1752/4885CYSLTR2 2337/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 BACE1 2108/4885CYSLTR1 1257/4885CYSLTR2 1644/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 BACE1 2957/4885CYSLTR1 1641/4885CYSLTR2 2130/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 BACE1 2108/4885CYSLTR1 1257/4885CYSLTR2 1644/4885

“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.