SCHEMBL75805

SCHEMBL75805

CCOC(=O)CNCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
PPID Q08752 1/20 0.47
CHRM2 P08172 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL30700389 1.00 ALDH1A1 (0.56) ALDH1A1MAPTPOLBTDP1RAB9A
Hydrochloric Acid SCHEMBL5434602 0.99 ALDH1A1 (0.55) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL2593071 0.90 ALDH1A1 (0.53) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL22612137 0.86 CHRM2 (0.51) ALDH1A1MAPTPOLBTDP1RAB9A
Hydrochloric Acid SCHEMBL16585744 0.85 SMN1; SMN2 (0.54) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL31215234 0.85 PPID (0.64) ALDH1A1RAB9ASMN1; SMN2ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL8615293 0.85 ALDH1A1 (0.51) ALDH1A1MAPTTDP1RAB9ALMNA
SCHEMBL2039737 0.85 PPID (0.64) ALDH1A1RAB9ASMN1; SMN2ALOX15L3MBTL1
SCHEMBL22747356 0.83 ALDH1A1 (0.52) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL7712013 0.81 MAPT (0.60) ALDH1A1MAPTPOLBTDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
CN-106029104-A Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety 奥斯陆大学 2016-10-12 CN disclosed
CN-102844320-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2012-12-26 CN disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP disclosed
US-20090259054-A1 Methods and Compositions for the Treatment of Angiogenesis and Macular Degeneration THE TEXAS A&M UNIVERSITY SYSTEM 2009-10-15 US disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP 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-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 ALDH1A1 2828/4885MAPT 4809/4885POLB 2641/4885
US-20090259054-A1 Methods and Compositions for the Treatment of Angiogenesis and Macular Degeneration PDE6D, PDE6H, VEGFA ALDH1A1 574/4885MAPT 3618/4885POLB 2423/4885

“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.