SCHEMBL5542842

SCHEMBL5542842

O=[C]NCc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 2/20 0.33
FFAR1 O14842 1/20 0.33
MTOR P42345 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
LSS P48449 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3310758 0.85 ALDH1A1 (0.46) ALDH1A1FFAR1MTORHDAC3HDAC1
SCHEMBL5543353 0.80 CYP19A1 (0.40) FFAR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3305794 0.77 EPHX2 (0.47) CA2CA1HDAC3HDAC6HDAC8
SCHEMBL5542845 0.74 ADH1B (0.52) CA2ALDH1A1CA1FFAR1MTOR
SCHEMBL1486307 0.74 LMNA (0.47) CA2ALDH1A1CA1CYP3A4CYP2D6
SCHEMBL5536578 0.74 EPHX2 (0.37) CA2ALDH1A1CA1HDAC3HDAC1
SCHEMBL514071 0.73 EPHX2 (0.48) CA2ALDH1A1CA1HDAC3HDAC1
SCHEMBL3306293 0.73 PTPRZ1 (0.65) CA2ALDH1A1CA1PTPN1PTPRZ1
SCHEMBL18242747 0.71 TAAR1 (0.35) ALDH1A1HDAC1HDAC8PTPN1
SCHEMBL2092098 0.71 EPHX2 (0.35) CA2CA1EPHX2NR1H4

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 CA2 1853/4885ALDH1A1 355/4885CA1 3493/4885

“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.