SCHEMBL2707368

SCHEMBL2707368

COC(=O)c1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 2/20 0.47
TNF P01375 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 2/20 0.47
NOD1 Q9Y239 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NR2F2 P24468 1/20 0.47
KLF5 Q13887 1/20 0.47
ALDH1A1 P00352 1/20 0.45
NOD2 Q9HC29 1/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL2707321 0.92 NPC1 (0.43) SMN1; SMN2MEN1TNFLMNAGAA
SCHEMBL16872743 0.89 NPC1 (0.45) SMN1; SMN2LMNAGAAMAPTHPGD
SCHEMBL201760 0.86 HSD17B1 (0.45) SMN1; SMN2MEN1LMNAGAAMAPT
SCHEMBL204150 0.86 NPC1 (0.46) SMN1; SMN2MEN1MAPTHPGDKMT2A
SCHEMBL14421920 0.86 NPC1 (0.47) SMN1; SMN2GAAMAPTHPGDHTT
SCHEMBL202801 0.85 NPC1 (0.47) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL204428 0.83 NPC1 (0.46) SMN1; SMN2LMNAGAACYP3A4NPC1
SCHEMBL202491 0.83 PCSK9 (0.43) SMN1; SMN2MEN1GAAMAPTHPGD
SCHEMBL204282 0.81 NPC1 (0.64) SMN1; SMN2MEN1MAPTHPGDKMT2A
SCHEMBL2704604 0.80 NPC1 (0.44) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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 SMN1; SMN2 3366/4885MEN1 1037/4885TNF 3062/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SMN1; SMN2 1208/4885MEN1 678/4885TNF 3714/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 SMN1; SMN2 2959/4885MEN1 1027/4885TNF 3375/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SMN1; SMN2 1208/4885MEN1 678/4885TNF 3714/4885

“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.