SCHEMBL1306572

SCHEMBL1306572

Ic1sccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
PTGS2 P35354 1/20 0.41
PDPK1 O15530 1/20 0.40
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2B6 P20813 2/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CYP2E1 P05181 1/20 0.34
PTPRC P08575 1/20 0.34
TDO2 P48775 1/20 0.33
PARP1 P09874 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL28580716 0.77 ALDH1A1 (0.36) ALDH1A1CYP2A6MAPK1
SCHEMBL28505007 0.76 RAB9A (0.41) ALDH1A1HSD17B10HPGDRXFP1
SCHEMBL1681771 0.73 PTGS2 (0.65) BCAT2PTGS2PTPRC
SCHEMBL3358969 0.73 BCAT2 (0.48) BCAT2PTGS2PDPK1BACE1ALDH1A1
SCHEMBL15751444 0.73 CYP2A6 (0.41) ALDH1A1CYP2A6HSD17B10CYP2B6CYP2E1
SCHEMBL920653 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1BACE1ALDH1A1
SCHEMBL18746178 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1BACE1ALDH1A1
SCHEMBL8649337 0.71 CYP2A6 (0.60) BCAT2PTGS2PDPK1BACE1ALDH1A1
SCHEMBL2782853 0.71 PTGS2 (0.68) BCAT2PTGS2
SCHEMBL2198638 0.71 BCAT2 (0.52) BCAT2PTGS2PDPK1BACE1ALDH1A1

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
EP-3129102-B1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF US HEALTH (US) 2025-06-18 EP disclosed
CN-111050730-B Photoinitiator-modified polyacid polymers 登特斯普伊德特雷有限公司 2023-07-28 CN disclosed
CN-114835622-A N-tert-butyl protection-3-substituted indole compound and preparation method thereof 常州大学 2022-08-02 CN disclosed
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2020-08-11 US disclosed
US-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE US SECRETARY DEPARTMENT OF HEALTH (US) 2019-02-14 US disclosed
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-20 US disclosed
EP-3129102-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2017-02-15 EP disclosed
US-20170029424-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE US SECRETARY DEPT OF HEALTH (US) 2017-02-02 US disclosed
WO-2015157145-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-15 WO disclosed
US-8053478-B1 Antimicrobial diaryl iodonium compositions and method Cornell Development Group, LLC (US) 2011-11-08 US disclosed
US-7105707-B2 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds PHARMACORE, INC. (US) 2006-09-12 US disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 US disclosed
US-6190834-B1 FIRST RESIN BEING AN EPOXY RESIN, AND A SECOND EPOXY RESIN HAVING AN N-SUBSTITUTED CARBAMIC ACID ESTER GROUP AND A RADICAL POLYMERIC UNSATURATED BOND IN ITS SIDE CHAIN HITACHI, LTD. (JP) 2001-02-20 US 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-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 BCAT2 2721/4885PTGS2 340/4885PDPK1 2569/4885
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 BCAT2 2721/4885PTGS2 340/4885PDPK1 2569/4885
US-20170029424-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 BCAT2 2721/4885PTGS2 340/4885PDPK1 2569/4885
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH BCAT2 1868/4885PTGS2 2836/4885PDPK1 889/4885
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 BCAT2 2721/4885PTGS2 340/4885PDPK1 2569/4885

“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.