SCHEMBL2707355

SCHEMBL2707355

CCCc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
TNKS2 Q9H2K2 1/20 0.34
EPHX2 P34913 5/20 0.33
GRM2 Q14416 3/20 0.33
ALOX5 P09917 4/20 0.33
PPARD Q03181 2/20 0.33
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2706146 0.88 NPC1 (0.37) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL201488 0.88 NPC1 (0.43) NPC1RAB9ATNKS2EPHX2GRM2
SCHEMBL2707340 0.86 NPC1 (0.38) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL25999362 0.86 NPC1 (0.39) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL202491 0.86 PCSK9 (0.43) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL13732770 0.86 NPC1 (0.36) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL15713807 0.86 NPC1 (0.36) NPC1RAB9ATNKS2EPHX2ALOX5
SCHEMBL2706605 0.85 NPC1 (0.39) NPC1RAB9AEPHX2ALOX5F9
SCHEMBL15690506 0.85 KDM4E (0.38) NPC1RAB9APPARDSMN1; SMN2MAPT
SCHEMBL12433324 0.84 NPC1 (0.38) NPC1RAB9ATNKS2EPHX2ALOX5

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 10 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-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 1213/4885TNKS2 2785/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885TNKS2 4145/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NPC1 1786/4885RAB9A 1340/4885TNKS2 2405/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885TNKS2 4145/4885

“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.