SCHEMBL2706702

SCHEMBL2706702

NC(=O)c1c(F)ccc(OCc2cccc([N+](=O)[O-])c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CCR5 P51681 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
F2 P00734 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
TSHR P16473 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31609761 1.00 MEN1 (0.49) MEN1KMT2ACCR5ALDH1A1MAOB
SCHEMBL202627 0.83 MAOB (0.56) MEN1KMT2AMAOBMRGPRX4LMNA
SCHEMBL2707335 0.82 MRGPRX4 (0.54) MAOBMAOAMRGPRX4
SCHEMBL2705640 0.81 MRGPRX4 (0.52) MAOBMRGPRX4HTR1ALMNAHTT
SCHEMBL202507 0.81 MRGPRX4 (0.53) CCR5MAOBMRGPRX4LMNAHTT
SCHEMBL201800 0.80 PPARG (0.44) MEN1KMT2ALMNA
SCHEMBL19285699 0.80 KDM1A (0.50) MRGPRX4LMNAHTT
SCHEMBL2704584 0.80 MRGPRX4 (0.48) MRGPRX4LMNAHTT
SCHEMBL2706579 0.80 MRGPRX4 (0.57) CCR5MRGPRX4LMNAHTT
SCHEMBL2705646 0.79 SIRT2 (0.49) MAOBMRGPRX4LMNAHTT

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-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
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 MEN1 1037/4885KMT2A 380/4885CCR5 2149/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MEN1 678/4885KMT2A 1011/4885CCR5 1795/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MEN1 1027/4885KMT2A 415/4885CCR5 2083/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MEN1 678/4885KMT2A 1011/4885CCR5 1795/4885

“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.