SCHEMBL5535377

SCHEMBL5535377

Fc1ccc(-c2cc[c]o2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
STS P08842 1/20 0.31
PGR P06401 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA5 P30532 1/20 0.30
CHRNA4 P43681 1/20 0.30
KMO O15229 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL511124 0.77 KDM4E (0.38) NOTUMCYP1A2
SCHEMBL5474340 0.74 NR4A1 (0.44) NOTUMCYP1A1CYP1A2CYP1B1
SCHEMBL512928 0.72 NOTUM (0.42) NOTUMCYP1A2
SCHEMBL3608419 0.72 GAA (0.41)
SCHEMBL5535370 0.72 AHR (0.50) NOTUMCYP1B1KMO
SCHEMBL5461527 0.71 CD274 (0.37) CYP1A1CYP1A2CYP1B1
SCHEMBL13741967 0.69 CYP17A1 (0.52) NOTUMCYP1A2CYP17A1CYP11B1CYP11B2
SCHEMBL769225 0.69
SCHEMBL2750506 0.69 NOTUM (0.37) ABCB1NOTUMCYP1A1CYP1A2CYP1B1
SCHEMBL5324357 0.68 ESR1 (0.43) ABCB1

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 ABCB1 2408/4885NOTUM 3827/4885CYP1A1 1394/4885

“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.