SCHEMBL5543353

SCHEMBL5543353

O=[C]NCc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
MLYCD O95822 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACP3 P15309 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
SCHEMBL3304999 0.87 MLYCD (0.51) MLYCDLMNAHPGDMEN1KMT2A
SCHEMBL5542842 0.80 CA2 (0.33) CYP3A4CYP2D6CYP2C19FFAR1HDAC3
SCHEMBL5542774 0.78 MGLL (0.40) CYP19A1HPGDGAAHDAC3HDAC1
SCHEMBL5543363 0.77 ADH1B (0.50) CYP19A1MLYCDMEN1KMT2APLA2G1B
SCHEMBL18378024 0.75 ACP3 (0.43) LMNAMEN1KMT2AGAAACP3
SCHEMBL5541818 0.74 IDO1 (0.46) L3MBTL1FFAR1FFAR4ACP3TAAR1
SCHEMBL3302549 0.74 TAAR1 (0.46) FFAR1TAAR1RAB9AMIF
SCHEMBL5540837 0.74 MAPK14 (0.41) MEN1KMT2AROCK2ROCK1
SCHEMBL14339435 0.73 KIF11 (0.47) LMNAGAAACP3TAAR1HDAC3
SCHEMBL5541763 0.73 MAPK14 (0.52) ROCK2ROCK1

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 CYP19A1 3120/4885MLYCD 1955/4885LMNA 4152/4885

“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.