SCHEMBL5542845

SCHEMBL5542845

O=CNCc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52
PTPN1 P18031 1/20 0.35
PTPRZ1 P23471 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX5 P09917 1/20 0.34
CA2 P00918 2/20 0.33
TEAD1 P28347 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
MTOR P42345 1/20 0.33
CA1 P00915 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL3310761 0.85 ADH1B (0.55) ADH1BADH1CADH1AADH7TEAD1
SCHEMBL24652924 0.81 ADH1B (0.52) ADH1BADH1CADH1AADH7CA2
SCHEMBL5543363 0.80 ADH1B (0.50) ADH1BADH1CADH1AADH7CYP3A4
SCHEMBL8763196 0.79 ADH1B (0.76) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL3305801 0.77 ADH1B (0.55) ADH1BADH1CADH1AADH7CYP2C19
SCHEMBL3903614 0.77 ADH1B (0.55) ADH1BADH1CADH1AADH7PTPN1
SCHEMBL27180282 0.75 LOXL2 (0.45) PTPN1PTPRZ1CYP3A4CYP2D6CYP2C9
SCHEMBL5542842 0.74 CA2 (0.33) PTPN1PTPRZ1CYP3A4CYP2D6CYP2C9
SCHEMBL1486309 0.74 ADH1B (0.61) ADH1BADH1CADH1AADH7CYP3A4
SCHEMBL5536584 0.74 ADH1B (0.47) ADH1BADH1CADH1AADH7EPHX2

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.