SCHEMBL202825

SCHEMBL202825

COC(=O)c1ccc2nc(COCc3ccccc3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.62
SCD O00767 2/20 0.54
CYP3A4 P08684 2/20 0.53
KCNH2 Q12809 1/20 0.53
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
CYP2C9 P11712 3/20 0.50
HTT P42858 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TNF P01375 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2707324 0.91 HDAC6 (0.76) HDAC6SCDCYP3A4KCNH2HTT
SCHEMBL2756796 0.81 NPC1 (0.59) SCDCYP3A4KCNH2PIK3CAPIK3CB
SCHEMBL6629030 0.80 PIK3CA (0.61) SCDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL201876 0.80 PIK3CA (0.61) HDAC6SCDCYP3A4KCNH2PIK3CA
SCHEMBL3255507 0.79 PIK3CA (0.60) SCDCYP3A4KCNH2PIK3CAPIK3CB
SCHEMBL201231 0.79 PIK3CA (0.60) SCDCYP3A4KCNH2PIK3CAPIK3CB
SCHEMBL12596886 0.78 SMN1; SMN2 (0.74) SCDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL19029294 0.77 HDAC6 (1.00) HDAC6HTTKMT2ACYP2D6
SCHEMBL31683080 0.75 NPC1 (0.58) HTTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21684628 0.75 HDAC6 (0.49) HDAC6NPC1KMT2AMEN1KDM4E

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 20 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-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
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-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
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 (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 HDAC6 2661/4885SCD 4381/4885CYP3A4 1520/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC6 2483/4885SCD 2508/4885CYP3A4 795/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 HDAC6 2565/4885SCD 4277/4885CYP3A4 1699/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC6 2483/4885SCD 2508/4885CYP3A4 795/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC6 2483/4885SCD 2508/4885CYP3A4 795/4885

“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.