SCHEMBL1828867

SCHEMBL1828867

CCCOc1nc(CBr)nc2oc(-c3ccco3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
KDM4E B2RXH2 10/20 0.46
HPGD P15428 10/20 0.46
HSD17B10 Q99714 10/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 6/20 0.46
TSHR P16473 6/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
SENP8 Q96LD8 1/20 0.46
GAA P10253 5/20 0.37
LCLAT1 Q6UWP7 3/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1829261 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL1828743 0.82 MAPT (0.33) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL1830594 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL1829290 0.78 MAOB (0.40) MAPTTP53SMN1; SMN2LCLAT1
SCHEMBL8990569 0.76 RAB9A (0.48) ALDH1A1KDM4EHPGDHSD17B10RAB9A
Trifluoroacetic Acid SCHEMBL1829567 0.74 ADORA2A (0.36) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL1830239 0.66 ADORA2A (0.38) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL1828263 0.63 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL8990844 0.63 ADORA2A (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL8990616 0.62 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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 ALDH1A1 1007/4885KDM4E 2964/4885HPGD 588/4885

“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.