SCHEMBL2707321

SCHEMBL2707321

COC(=O)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HDAC6 Q9UBN7 3/20 0.42
ROCK2 O75116 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
EPHX2 P34913 6/20 0.39
ALOX5 P09917 5/20 0.39
PTGER4 P35408 1/20 0.39
MEN1 O00255 2/20 0.38
TNF P01375 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 2/20 0.38
NOD1 Q9Y239 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2707368 0.92 SMN1; SMN2 (0.47) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL2704604 0.86 NPC1 (0.44) NPC1RAB9AROCK2MAPTSMN1; SMN2
SCHEMBL2707199 0.86 NPC1 (0.46) NPC1RAB9AHDAC6MAPTSMN1; SMN2
SCHEMBL203602 0.86 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL2320663 0.85 HDAC6 (0.47) NPC1RAB9AHDAC6EPHX2ALOX5
SCHEMBL202069 0.84 NPC1 (0.48) NPC1RAB9AHDAC6MAPTSMN1; SMN2
SCHEMBL201355 0.83 POLB (0.42) NPC1RAB9AHDAC6MAPTSMN1; SMN2
SCHEMBL4567016 0.83 RAB9A (0.43) NPC1RAB9AROCK2MAPTSMN1; SMN2
SCHEMBL201488 0.83 NPC1 (0.43) NPC1RAB9AHDAC6MAPTSMN1; SMN2
SCHEMBL201165 0.82 NPC1 (0.44) NPC1RAB9AHDAC6ROCK2MAPT

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-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-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

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 NPC1 2815/4885RAB9A 1213/4885HDAC6 2661/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885HDAC6 2483/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NPC1 1786/4885RAB9A 1340/4885HDAC6 2565/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885HDAC6 2483/4885

“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.