SCHEMBL5544700

SCHEMBL5544700

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
PTGS1 P23219 4/20 0.54
MAPK14 Q16539 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK10 P53779 1/20 0.38
GCGR P47871 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31194856 0.82 PTGS2 (0.74) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL5544695 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14NPC1RAB9A
SCHEMBL5536993 0.80 ALDH1A1 (0.47) PTGS2PTGS1MAPK14NPC1RAB9A
SCHEMBL15578111 0.80 ACHE (0.43) PTGS2PTGS1MAPK14NPC1RAB9A
SCHEMBL18865626 0.80 KDM4E (0.40) PTGS2PTGS1MAPK14NPC1RAB9A
SCHEMBL10833552 0.79 PTPN1 (0.53) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5214925 0.79 MAPK13 (0.58) PTGS2PTGS1MAPK14RAB9AMAPK13
SCHEMBL5541456 0.78 ADORA2A (0.46) ADORA2AADORA2BADORA1KDM4E
SCHEMBL28713512 0.77 APP (0.40) PTGS2PTGS1MAPK14RAB9AMAPK13
SCHEMBL10833899 0.77 MAPK13 (0.42) PTGS2PTGS1MAPK14NPC1RAB9A

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
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
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
US-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PTGS2 3418/4885PTGS1 3838/4885MAPK14 2803/4885

“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.