SCHEMBL201520

SCHEMBL201520

CCCCCCCCCn1ccc(C#N)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
ICMT O60725 1/20 0.43
PGR P06401 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
G6PD P11413 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
GRM2 Q14416 3/20 0.39
CNR2 P34972 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 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
SCHEMBL28510082 0.76 GLO1 (0.51) ICMTALDH1A1HPGDCNR2DRD2
SCHEMBL7764049 0.74 TLR8 (0.45) ACACBTSHRHSD17B10ALDH1A1TP53
SCHEMBL30910238 0.74 GPR84 (0.47) ACACBTSHRHSD17B10ALDH1A1TP53
SCHEMBL23287328 0.74 ADORA2A (0.40) ACACB
SCHEMBL18810347 0.72 ALDH1A1 (0.38) ACACBTSHRHSD17B10ALDH1A1TP53
SCHEMBL5901184 0.71 CASP3 (0.43) ALDH1A1BRD9
SCHEMBL7163458 0.71 DRD2 (0.50) ICMTTSHRHSD17B10ALDH1A1TP53
SCHEMBL13522483 0.71 KDM4E (0.47) TSHRHSD17B10ALDH1A1TP53HPGD
SCHEMBL30982527 0.71 APP (0.40) TP53GRM2PTGS1PTGS2MGLL
SCHEMBL30983045 0.71 APP (0.40) TP53GRM2PTGS1PTGS2MGLL

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 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-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
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN 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-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
CN-101404989-B Antibacterial agent PROLYSIS LTD 2011-10-05 CN disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
CN-102008459-A Antibacterial agents PROLYSIS LTD 2011-04-13 CN 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
CN-101404989-A Antibacterial agent PROLYSIS LTD (GB) 2009-04-08 CN disclosed
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP 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-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ACACB 2950/4885ICMT 716/4885PGR 3324/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 ACACB 3537/4885ICMT 1284/4885PGR 3087/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ACACB 2950/4885ICMT 716/4885PGR 3324/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ACACB 2950/4885ICMT 716/4885PGR 3324/4885

“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.