SCHEMBL2704604

SCHEMBL2704604

COc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PPARA Q07869 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
DYRK1A Q13627 5/20 0.42
ROCK2 O75116 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 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
SCHEMBL201355 0.92 POLB (0.42) NPC1RAB9APPARASMN1; SMN2MAPT
SCHEMBL201760 0.92 HSD17B1 (0.45) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL201522 0.90 NPC1 (0.42) NPC1RAB9APPARASMN1; SMN2MAPT
SCHEMBL2707199 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL203602 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2705181 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2320663 0.87 HDAC6 (0.47) NPC1RAB9APPARAAKR1B1EPHX2
SCHEMBL2707321 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL202069 0.86 NPC1 (0.48) NPC1RAB9APPARASMN1; SMN2MAPT
SCHEMBL4567016 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2MAPTPKM

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 11 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
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 NPC1 2815/4885RAB9A 1213/4885PPARA 2979/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885PPARA 3049/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NPC1 1786/4885RAB9A 1340/4885PPARA 2842/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885PPARA 3049/4885

“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.