SCHEMBL844440

SCHEMBL844440

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41

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) ALDH1A1SMN1; SMN2LMNAHPGDMITF
SCHEMBL11371087 0.85 MEN1 (0.46) ALDH1A1TSHRSMN1; SMN2HPGDPOLB
SCHEMBL844837 0.85 ALDH1A1 (0.44) ALDH1A1ALOX15SMN1; SMN2HPGDPOLB
SCHEMBL11377000 0.83 CYP3A4 (0.46) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL1828019 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL767485 0.79 TSHR (0.48) ALDH1A1TSHRALOX15SMN1; SMN2LMNA
SCHEMBL11382105 0.79 ALDH1A1 (0.45) ALDH1A1TSHRALOX15SMN1; SMN2LMNA
SCHEMBL11355720 0.78 CYP3A4 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDPOLB
SCHEMBL844974 0.77 CSNK1D (0.52) ALDH1A1TSHRSMN1; SMN2LMNAPOLB
SCHEMBL6679640 0.77 CYP3A4 (0.50) ALDH1A1TSHRSMN1; SMN2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58192855-A None JP disclosed
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
JP-S58192855-A ACETYLAMINOBENZOIC ESTER DERIVATIVE SHOWA DENKO KK 1983-11-10 JP 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 ALDH1A1 680/4885TSHR 795/4885ALOX15 3312/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B ALDH1A1 718/4885TSHR 801/4885ALOX15 3398/4885

“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.