SCHEMBL2705780

SCHEMBL2705780

NC(=O)c1c(F)ccc(OCc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.50
F2RL3 Q96RI0 2/20 0.42
ALOX5 P09917 1/20 0.41
PSEN1 P49768 1/20 0.41
SCN9A Q15858 5/20 0.41
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ADORA1 P30542 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIM1 P11309 2/20 0.39

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
SCHEMBL2705819 0.88 ALDH1A1 (0.53) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL2707295 0.88 LMNA (0.51) SCN9AKCNH2LMNATP53KDM4E
SCHEMBL2707292 0.88 RAB9A (0.46) SCN9AKCNH2LMNAKDM4EALDH1A1
SCHEMBL2706142 0.87 SCN9A (0.53) SCN9AKCNH2LMNATP53
SCHEMBL204223 0.86 LMNA (0.48) SCN9AKCNH2LMNATP53KDM4E
SCHEMBL204397 0.86 SMN1; SMN2 (0.50) SCN9AKCNH2LMNATP53KDM4E
SCHEMBL2706162 0.82 HDAC3 (0.48) ALOX5SCN9AALDH1A1
SCHEMBL2705785 0.80 KDM4E (0.45) F2RL3SCN9AKCNH2LMNATP53
SCHEMBL1425586 0.80 PPARD (0.56)
SCHEMBL19471066 0.78 PPARD (0.44)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SHMT2 1015/4885F2RL3 3954/4885ALOX5 2068/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SHMT2 1015/4885F2RL3 3954/4885ALOX5 2068/4885

“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.