SCHEMBL2705646

SCHEMBL2705646

NC(=O)c1c(F)ccc(OCc2cccc(OCc3ccccc3)c2)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
FFAR1 O14842 1/20 0.48
NR4A2 P43354 2/20 0.48
PARP10 Q53GL7 3/20 0.47
PARP15 Q460N3 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
SPHK2 Q9NRA0 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
MAOB P27338 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2707206 0.92 FFAR1 (0.51) FFAR1PARP10PARP15MRGPRX4MAOB
SCHEMBL19285699 0.90 KDM1A (0.50) PARP10MRGPRX4LMNAHTT
SCHEMBL201109 0.89 FFAR1 (0.51) FFAR1PARP10PARP15MRGPRX4MAOB
SCHEMBL2705640 0.88 MRGPRX4 (0.52) FFAR1MRGPRX4MAOBLMNAHTT
SCHEMBL2704584 0.87 MRGPRX4 (0.48) FFAR1NR4A2MRGPRX4LMNAHTT
SCHEMBL2706578 0.86 USP28 (0.46) PARP10PARP15MRGPRX4MAOB
SCHEMBL202627 0.85 MAOB (0.56) NR4A2PARP10MRGPRX4MAOBLMNA
SCHEMBL2707335 0.84 MRGPRX4 (0.54) FFAR1NR4A2MRGPRX4MAOB
SCHEMBL202507 0.83 MRGPRX4 (0.53) PARP10MRGPRX4MAOBLMNAHTT
SCHEMBL2705980 0.83 LMNA (0.49) PARP10MRGPRX4SPHK2SPHK1MAOB

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 12 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

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 SIRT2 3117/4885FFAR1 518/4885NR4A2 1464/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SIRT2 2237/4885FFAR1 754/4885NR4A2 1340/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 SIRT2 2868/4885FFAR1 400/4885NR4A2 957/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SIRT2 2237/4885FFAR1 754/4885NR4A2 1340/4885

“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.