SCHEMBL2707332

SCHEMBL2707332

NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)no2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GSTP1 P09211 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL2317714 0.84 MAPT (0.59) MAPTSMN1; SMN2RAB9AGSTP1L3MBTL1
SCHEMBL201335 0.84 L3MBTL1 (0.64) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL203805 0.83 FFAR1 (0.56) MAPTSMN1; SMN2RAB9AKMT2AL3MBTL1
SCHEMBL201459 0.81 MAPT (0.58) MAPTSMN1; SMN2RAB9AGSTP1L3MBTL1
SCHEMBL202105 0.81 GSTP1 (0.55) MAPTSMN1; SMN2RAB9AALDH1A1GSTP1
SCHEMBL201796 0.81 GSTP1 (0.52) MAPTSMN1; SMN2RAB9AGSTP1L3MBTL1
SCHEMBL2705735 0.80 MAPT (0.48) MAPTSMN1; SMN2RAB9AGSTP1L3MBTL1
SCHEMBL203371 0.80 MAPT (0.47) MAPTSMN1; SMN2RAB9AGSTP1L3MBTL1
SCHEMBL2316477 0.80 CASP3 (0.45) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL201364 0.80 TSHR (0.55) MAPTSMN1; SMN2RAB9AALDH1A1GSTP1

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 14 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
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 MAPT 4688/4885SMN1; SMN2 3366/4885RAB9A 1213/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MAPT 4784/4885SMN1; SMN2 1208/4885RAB9A 2799/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MAPT 4744/4885SMN1; SMN2 2959/4885RAB9A 1340/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MAPT 4784/4885SMN1; SMN2 1208/4885RAB9A 2799/4885

“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.