SCHEMBL5543363

SCHEMBL5543363

O=CNCc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
TEAD1 P28347 2/20 0.40
CYP19A1 P11511 1/20 0.40
MLYCD O95822 1/20 0.40
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL568256 0.87 ADH1B (0.53) ADH1BADH1CADH1AADH7TEAD1
SCHEMBL8750958 0.82 ADH1B (0.71) ADH1BADH1CADH1AADH7CYP19A1
SCHEMBL5542845 0.80 ADH1B (0.52) ADH1BADH1CADH1AADH7TEAD1
SCHEMBL5542783 0.78 ADH1B (0.59) ADH1BADH1CADH1AADH7CYP19A1
SCHEMBL5543353 0.77 CYP19A1 (0.40) CYP19A1MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL18378024 0.75 ACP3 (0.43) MEN1GAAKMT2AACP3TAAR1
SCHEMBL5541823 0.74 IDO1 (0.46) L3MBTL1FFAR1FFAR4ACP3TAAR1
SCHEMBL16789739 0.74 ADH1B (0.59) ADH1BADH1CADH1AADH7CYP1A2
SCHEMBL14219016 0.74 ADH1B (0.59) ADH1BADH1CADH1AADH7CYP19A1
SCHEMBL29586929 0.74 ADH1B (0.59) ADH1BADH1CADH1AADH7L3MBTL1

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 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.