SCHEMBL844837

SCHEMBL844837

CC(=O)Nc1cc(C)c(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 2/20 0.37
GPR35 Q9HC97 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
APOBEC3A P31941 1/20 0.37

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
SCHEMBL844440 0.85 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECYP3A4NPC1
SCHEMBL8106142 0.77 CYP3A4 (0.54) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL5037307 0.75 CYP3A4 (0.52) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL5042476 0.75 CYP3A4 (0.52) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
SCHEMBL29819513 0.75 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
SCHEMBL28486233 0.75 LMNA (0.52) ALDH1A1KDM4EHSD17B10CYP3A4NPC1
SCHEMBL8530089 0.73 KDM4E (0.56) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL13551973 0.72 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL4258095 0.72 KDM4E (0.50) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
SCHEMBL2388309 0.72 TAS2R14 (0.35) ALDH1A1HPGDKDM4EHSD17B10HTT

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 7 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

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 ALDH1A1 680/4885HPGD 910/4885KDM4E 3258/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B ALDH1A1 718/4885HPGD 921/4885KDM4E 3214/4885

“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.