SCHEMBL2705784

SCHEMBL2705784

FC(F)(F)Oc1ccc(-c2nc(CCl)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GFER P55789 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
SHMT2 P34897 1/20 0.58
LMNA P02545 1/20 0.49
ADORA1 P30542 1/20 0.48
PIM1 P11309 6/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
ALOX5 P09917 1/20 0.42
AVPR1B P47901 1/20 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
SCHEMBL2088997 0.85 SHMT2 (0.61) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL4774884 0.85 SHMT2 (0.61) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL4777890 0.85 SHMT2 (0.58) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL2090187 0.83 SHMT2 (0.56) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL27755468 0.83 SHMT2 (0.56) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL4905450 0.83 SHMT2 (0.56) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL2090191 0.83 SHMT2 (0.56) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL4902981 0.82 SHMT2 (0.55) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL204556 0.81 KDM4E (0.44) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL3370261 0.80 KDM4E (0.97) KDM4EALDH1A1TDP1RAB9ANPC1

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 17 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-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-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
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
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 US disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 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 (6 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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 KDM4E 493/4885ALDH1A1 536/4885TDP1 4018/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 KDM4E 819/4885ALDH1A1 787/4885TDP1 2003/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885ALDH1A1 800/4885TDP1 3078/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 KDM4E 1251/4885ALDH1A1 740/4885TDP1 2148/4885
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 KDM4E 1358/4885ALDH1A1 648/4885TDP1 3476/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885ALDH1A1 800/4885TDP1 3078/4885

“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.