SCHEMBL1828019

SCHEMBL1828019

CCOC(=O)CCC(=O)Nc1cc(C)c(C(=O)OCC)c(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL11368475 0.85 ALDH1A1 (0.48) MAPTLMNATDP1GAAPOLB
SCHEMBL844440 0.83 ALDH1A1 (0.46) MAPTLMNATDP1GAAPOLB
SCHEMBL11371087 0.80 MEN1 (0.46) MAPTTDP1POLBMEN1KMT2A
SCHEMBL11377000 0.78 CYP3A4 (0.46) MAPTLMNATDP1GAAPOLB
SCHEMBL844974 0.77 CSNK1D (0.52) LMNATDP1POLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11022212 0.72 KDM4E (0.43) LMNAGAAPOLBMEN1KMT2A
SCHEMBL6679640 0.72 CYP3A4 (0.50) MAPTTDP1GAAPOLBSMN1; SMN2
SCHEMBL844533 0.71 CYP3A4 (0.49) MAPTLMNATDP1GAAMEN1
SCHEMBL1491077 0.70 NLRP3 (0.70) MAPTLMNATDP1GAAPOLB
SCHEMBL7379340 0.70 CYP3A4 (0.51) MAPTTDP1GAAPOLBKMT2A

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 6 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-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

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 MAPT 3399/4885LMNA 2868/4885TDP1 3034/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B MAPT 3204/4885LMNA 2868/4885TDP1 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.