SCHEMBL2705948

SCHEMBL2705948

NC(=O)c1c(F)ccc(OCc2ccc3cccc(Cl)c3n2)c1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.40
PARP1 P09874 1/20 0.38
PTGER1 P34995 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
TBXA2R P21731 2/20 0.36
PTGS1 P23219 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
FAAH O00519 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL2706617 0.87 MRGPRX4 (0.41) MRGPRX4PARP1PDE10A
SCHEMBL202543 0.82 GPBAR1 (0.48) PDE10A
SCHEMBL2704592 0.80 MRGPRX4 (0.41) MRGPRX4PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL2705947 0.79 MRGPRX4 (0.41) MRGPRX4PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL203022 0.79 NPC1 (0.43) PDE10A
SCHEMBL202189 0.78 MRGPRX4 (0.42) MRGPRX4PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL17274961 0.78 MRGPRX4 (0.42) MRGPRX4PARP1PTGER1CYP1A2CYP2C9
SCHEMBL2705641 0.75 BACE1 (0.36) MRGPRX4PDE10A
SCHEMBL2705627 0.75 MRGPRX4 (0.40) MRGPRX4
SCHEMBL2707218 0.75 CYSLTR1 (0.39) MRGPRX4PDE10A

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-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
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 MRGPRX4 1730/4885PARP1 1024/4885PTGER1 2172/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MRGPRX4 3870/4885PARP1 1034/4885PTGER1 998/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MRGPRX4 1829/4885PARP1 1040/4885PTGER1 1921/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MRGPRX4 3870/4885PARP1 1034/4885PTGER1 998/4885

“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.