SCHEMBL844533

SCHEMBL844533

CCOC(=O)c1c(C)cc(N)c(C(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 8/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GRM6 O15303 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.42
FHIT P49789 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL11192938 0.89 GRM6 (0.47) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL11221186 0.87 ALDH1A1 (0.49) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL11199103 0.87 ESR1 (0.48) CYP3A4SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL844171 0.86 ALDH1A1 (0.50) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL11198595 0.85 ALDH1A1 (0.41) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL5472015 0.82 CYP3A4 (0.45) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL6679640 0.82 CYP3A4 (0.50) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL7379340 0.80 CYP3A4 (0.51) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL11378236 0.79 CYP3A4 (0.47) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL11355720 0.79 CYP3A4 (0.47) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552015-B2 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-1472234-B1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2319839-A1 Quinazolinone derivatives and their use as CB agonists Novartis AG (CH) 2011-05-11 EP disclosed
US-20070265285-A1 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2007-11-15 US disclosed
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists BRAIN CHRISTOPHER T (GB) 2005-04-21 US disclosed
EP-1472234-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS Novartis AG (CH) 2004-11-03 EP disclosed
WO-2003066603-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2003-08-14 WO disclosed
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed
EP-0040793-B1 NOVEL QUINAZOLINE-DIONE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL USE THEREOF Ishikawa, Masayuki (JP) 1985-08-28 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
US-4276295-A VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC Ishikawa, Masayuki (JP) 1981-06-30 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 (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-20070265285-A1 Quinazolinone derivatives and their use as CB agonists CNR1, ADRB1, ADRA1D CYP3A4 91/4885SMN1; SMN2 3618/4885TDP1 3034/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CYP3A4 71/4885SMN1; SMN2 3679/4885TDP1 3081/4885

“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.