SCHEMBL2706587

SCHEMBL2706587

NC(=O)c1c(F)ccc(OCc2nc(CCc3ccccc3)cs2)c1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.44
HDAC6 Q9UBN7 10/20 0.44
TLR7 Q9NYK1 1/20 0.43
NOS1 P29475 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.38
PTGER1 P34995 3/20 0.38
ECE1 P42892 1/20 0.37
AOC3 Q16853 1/20 0.36

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
SCHEMBL2706602 0.91 TLR7 (0.43) HDAC1HDAC6TLR7BCHEPTGER1
SCHEMBL17275045 0.89 HDAC1 (0.41) HDAC1HDAC6TLR7LMNABCHE
SCHEMBL201521 0.82 PPARD (0.49) HDAC1HDAC6LMNA
SCHEMBL19210466 0.81 BCHE (0.39) TLR7SMN1; SMN2BCHE
SCHEMBL204397 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2PTGER1
SCHEMBL13239664 0.79 NPC1 (0.47) HDAC6SMN1; SMN2
SCHEMBL19285699 0.79 KDM1A (0.50) LMNAPTGER1
SCHEMBL201928 0.79 NPC1 (0.38) TLR7LMNASMN1; SMN2BCHE
SCHEMBL3652832 0.79 TLR7 (0.37) TLR7LMNABCHEPTGER1
SCHEMBL2704600 0.79 FFAR1 (0.41) TLR7LMNASMN1; SMN2

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 12 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
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 (3 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 HDAC1 919/4885HDAC6 2661/4885TLR7 1354/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC1 801/4885HDAC6 2483/4885TLR7 1355/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 HDAC1 854/4885HDAC6 2565/4885TLR7 1295/4885

“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.