SCHEMBL2756751

SCHEMBL2756751

CCCCOCc1nc2cc(Br)cnc2s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.36
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
PDE2A O00408 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15713804 0.84 NOS1 (0.36) NOS1L3MBTL1
SCHEMBL15713793 0.77 NOS1 (0.31) NOS1
SCHEMBL15713809 0.77 L3MBTL1 (0.33) NOS1L3MBTL1
SCHEMBL2705775 0.76 HDAC6 (0.47) L3MBTL1NPC1MAPTHTTRAB9A
SCHEMBL15713798 0.76 NOS1 (0.31) NOS1
SCHEMBL2706690 0.74 DYRK1A (0.34) MAPTHTT
SCHEMBL15241061 0.72 UBE2T (0.40) MAPTHTT
SCHEMBL15713825 0.72 DYRK1A (0.33) MAPTHTT
SCHEMBL16476934 0.67 SMN1; SMN2 (0.41) NPC1MAPTHTTRAB9A
SCHEMBL15239895 0.67 TRPV1 (0.39)

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-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-20150307517-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2015-10-29 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
WO-2014074932-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-15 WO 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 (7 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 NOS1 325/4885CNR2 2679/4885L3MBTL1 297/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NOS1 37/4885CNR2 1389/4885L3MBTL1 703/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NOS1 150/4885CNR2 2184/4885L3MBTL1 377/4885
US-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NOS1 121/4885CNR2 3869/4885L3MBTL1 185/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NOS1 121/4885CNR2 3869/4885L3MBTL1 185/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NOS1 121/4885CNR2 3869/4885L3MBTL1 185/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NOS1 37/4885CNR2 1389/4885L3MBTL1 703/4885

“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.