SCHEMBL202117

SCHEMBL202117

ClCc1ccc2sccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.66
DYRK1A Q13627 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC5A2 P31639 1/20 0.38
CA12 O43570 4/20 0.37
CA2 P00918 4/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL827244 0.80 CYP2A6 (0.56) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL8051994 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL202744 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL29469368 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL1774025 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL6607954 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL112311 0.79 CYP2A6 (1.00) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL1863293 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
Hydrochloric Acid SCHEMBL23088146 0.78 CYP2A6 (0.96) CYP2A6DYRK1APTPRCPTPN6PTPN11
Hydrochloric Acid SCHEMBL31305343 0.78 CYP2A6 (0.63) CYP2A6DYRK1APTPRCPTPN6PTPN11

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 14 patents. 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-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-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
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
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 (5 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 CYP2A6 1659/4885DYRK1A 2951/4885PTPRC 2001/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885DYRK1A 4146/4885PTPRC 2640/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 CYP2A6 1843/4885DYRK1A 3576/4885PTPRC 2195/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885DYRK1A 4146/4885PTPRC 2640/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885DYRK1A 4146/4885PTPRC 2640/4885

“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.