SCHEMBL2707202

SCHEMBL2707202

BrCc1noc(-c2ccsc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.49
PPARA Q07869 1/20 0.49
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
NOTUM Q6P988 2/20 0.40
IKBKB O14920 1/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1544174 0.83 NPC1 (0.55) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2984075 0.83 RAB9A (0.44) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2984077 0.83 RAB9A (0.44) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL13461927 0.80 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2662367 0.74 ACHE (0.53) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL10247596 0.72 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2459137 0.71 PPARA (0.70) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL15013315 0.70 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL14562787 0.70 CA2 (0.50) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL6979301 0.70 PPARA (0.49) ALDH1A1NPC1RAB9AL3MBTL1MAPT

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 18 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-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-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 ALDH1A1 787/4885NPC1 2815/4885RAB9A 1213/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885NPC1 1400/4885RAB9A 2799/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 ALDH1A1 740/4885NPC1 1786/4885RAB9A 1340/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885NPC1 1400/4885RAB9A 2799/4885

“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.