SCHEMBL5539486

SCHEMBL5539486

Cc1cc(-c2cccc(F)c2)co1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
ESR2 Q92731 1/20 0.46
ACHE P22303 1/20 0.43
NOTUM Q6P988 1/20 0.43
TNKS2 Q9H2K2 1/20 0.41
PTGS2 P35354 1/20 0.40
PGR P06401 5/20 0.39
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE4B Q07343 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37

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
SCHEMBL5543811 0.78 GSK3B (0.41) ACHENOTUMTNKS2PTGS2PGR
SCHEMBL5541408 0.77 ALDH1A1 (0.44) PGRGAA
SCHEMBL5536267 0.77 ESR2 (0.49) TAAR1ESR2NOTUMPTGS2PGR
SCHEMBL1013338 0.77 MAOA (0.52) CYP3A4
SCHEMBL30186370 0.77 HSD17B1 (0.54) ESR2ACHECYP3A4
SCHEMBL5539482 0.77 TAAR1 (0.46) TAAR1ESR2NOTUMPGRCYP17A1
SCHEMBL198702 0.76 TAAR1 (0.68) TAAR1ESR2ACHENOTUMCYP17A1
SCHEMBL5540680 0.74 PGR (0.37) ESR2NOTUMPTGS2PGRCYP17A1
SCHEMBL2556834 0.74 ESR2 (0.47) TAAR1ESR2NOTUMCYP17A1CYP3A4
SCHEMBL16605626 0.73 TAAR1 (0.65) TAAR1ESR2ACHENOTUMCYP17A1

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 5 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

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 TAAR1 364/4885ESR2 339/4885ACHE 4670/4885

“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.