SCHEMBL1831744

SCHEMBL1831744

CSc1nc2c(O)nc(Cc3ccc(Cl)cc3)nc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
HTR6 P50406 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAPK1 P28482 3/20 0.34
ALOX5 P09917 1/20 0.33
SLC5A1 P13866 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL1831711 0.80 ERCC1 (0.38) L3MBTL1MAPTERCC1ERCC4HTR6
SCHEMBL1830891 0.79 LMNA (0.38) L3MBTL1MAPTMAPK1LMNAKDM4E
SCHEMBL14486451 0.72 KDM4E (0.40) L3MBTL1MAPTERCC1ERCC4EGLN1
SCHEMBL1827867 0.68 HTR6 (0.48) L3MBTL1MAPTERCC1ERCC4HTR6
SCHEMBL8990616 0.62 MAPT (0.43) L3MBTL1MAPTMAPK1LMNACYP1A2
SCHEMBL1970510 0.61 L3MBTL1 (0.46) L3MBTL1MAPTERCC1ERCC4HTR6
SCHEMBL27954065 0.60 MAPK1 (0.44) L3MBTL1MAPTERCC1ERCC4HTR6
SCHEMBL10999896 0.60 HTR2C (0.46) L3MBTL1MAPTERCC1ERCC4HTR6
Acetic Acid SCHEMBL2248353 0.60 HTR6 (0.53) L3MBTL1MAPTHTR6EGLN1MAPK1
SCHEMBL13728722 0.58 HTR6 (0.44) L3MBTL1MAPTHTR6EGLN1MAPK1

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-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 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 (1 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-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 L3MBTL1 2869/4885MAPT 4276/4885ERCC1 1706/4885

“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.