SCHEMBL2706602

SCHEMBL2706602

NC(=O)c1c(F)ccc(OCc2nc(Cc3ccccc3)cs2)c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
PTGER1 P34995 4/20 0.42
BCHE P06276 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
ECE1 P42892 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ENPP2 Q13822 1/20 0.35

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
SCHEMBL2706587 0.91 HDAC1 (0.44) TLR7PTGER1BCHEHDAC1HDAC6
SCHEMBL201521 0.83 PPARD (0.49) HDAC1HDAC6NPC1RAB9AL3MBTL1
SCHEMBL17275045 0.82 HDAC1 (0.41) TLR7PTGER1BCHEHDAC1HDAC6
SCHEMBL204397 0.81 SMN1; SMN2 (0.50) PTGER1NPC1GAARAB9AL3MBTL1
SCHEMBL19285699 0.80 KDM1A (0.50) PTGER1NPC1L3MBTL1
SCHEMBL201928 0.80 NPC1 (0.38) TLR7BCHENPC1RAB9AL3MBTL1
SCHEMBL3652832 0.80 TLR7 (0.37) TLR7PTGER1BCHENPC1RAB9A
SCHEMBL2704600 0.80 FFAR1 (0.41) TLR7NPC1RAB9A
SCHEMBL16696517 0.79 BCHE (0.38) TLR7PTGER1BCHENPC1RAB9A
SCHEMBL2704582 0.77 MAPT (0.43) TLR7PTGER1NPC1GAARAB9A

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-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 TLR7 1354/4885PTGER1 2172/4885BCHE 2645/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TLR7 1355/4885PTGER1 998/4885BCHE 2575/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 TLR7 1295/4885PTGER1 1921/4885BCHE 2427/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TLR7 1355/4885PTGER1 998/4885BCHE 2575/4885

“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.