SCHEMBL5545503

SCHEMBL5545503

Cc1nc(C)c(-c2ccc(F)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
PTGS1 P23219 3/20 0.54
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
GCGR P47871 1/20 0.38
KMT2A Q03164 1/20 0.36
CCR9 P51686 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL8192267 0.83 ENPP3 (0.42) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL31194856 0.82 PTGS2 (0.74) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL472491 0.81 NPC1 (0.42) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL5545499 0.81 PTGS2 (0.51) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL5546174 0.80 CCR9 (0.44) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL21051602 0.80 NPC1 (0.40) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL9434736 0.80 NPC1 (0.39) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL1617773 0.80 ACHE (0.43) PTGS2PTGS1NPC1RAB9AMAPK14
SCHEMBL8192595 0.79 LMNA (0.43) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL342242 0.79 MAPK13 (0.58) PTGS2NPC1RAB9AMAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (4 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PTGS2 2253/4885PTGS1 2614/4885NPC1 1392/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PTGS2 3418/4885PTGS1 3838/4885NPC1 2404/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PTGS2 2253/4885PTGS1 2614/4885NPC1 1392/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PTGS2 2253/4885PTGS1 2614/4885NPC1 1392/4885

“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.