Sugi Predict

Sugi Predict / Compounds / Triaziquone

Triaziquone

Triaziquone

SCHEMBL4334317

O=C([O-])O.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1.[Na+]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Triaziquone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APAF1 O14727 2/20 0.33
▸ TDP2 O95551 2/20 0.33
▸ NSD2 O96028 2/20 0.33
▸ HKDC1 Q2TB90 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GALK1 P51570 1/20 0.32

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
Triaziquone SCHEMBL20742268 0.90 MAPT (0.39) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL8926769 0.89 DNMT1 (0.42) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL14862047 0.85 DNMT1 (0.44) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL22346090 0.84 DNMT1 (0.39) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL9678206 0.84 DNMT1 (0.39) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL22346328 0.84 DNMT1 (0.39) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL10583104 0.83 DNMT1 (0.47) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL11237492 0.82 MAPT (0.41) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL5439502 0.81 DNMT1 (0.42) DNMT1MAPTTP53STAT3HTT
Triaziquone SCHEMBL3903553 0.81 DNMT1 (0.42) DNMT1MAPTTP53STAT3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 — — US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 — — US disclosed
EP-1212295-B1 SUBSTITUTED ALPHA-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2008-10-01 — — EP disclosed
EP-1177168-B1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2007-05-30 — — EP disclosed
EP-1165490-B1 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2006-08-16 — — EP disclosed
CN-1784239-A Protease inhibitors of coronavirus and SARS-COV and use thereof CYTOVIA INC (US) 2006-06-07 — — CN disclosed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 — — EP disclosed
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 — — US disclosed
EP-1076563-B1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2005-05-11 — — EP disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 — — WO disclosed
US-6355618-B1 ENZYME INHIBITORS CYTOVIA, INC. 2002-03-12 — — US disclosed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 — — EP disclosed
EP-1165490-A1 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-01-02 — — EP disclosed
WO-2001027140-A1 CASPASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CHEMOTHERAPY AND RADIATION THERAPY INDUCED CELL DEATH CYTOVIA, INC. (US) 2001-04-19 — — WO disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 — — WO disclosed
EP-1076563-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2001-02-21 — — EP disclosed
US-6153591-A PROTECTING NERVOUS SYSTEM FOLLOWING FOCAL ISCHEMIA AND GLOBAL ISCHEMIA; ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PRION DISEASES, PARKINSON'S DISEASE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, ALOPACIA, RHEUMATOID ARTHRITIS CYTOVIA, INC. (US) 2000-11-28 — — US disclosed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 — — WO disclosed
WO-2000055114-A1 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-09-21 — — WO disclosed
WO-1999047154-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 1999-09-23 — — 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 (2 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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 DNMT1 4104/4885MAPT 2823/4885TP53 619/4885
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 DNMT1 2964/4885MAPT 2485/4885TP53 3720/4885

“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.