SCHEMBL5542350

SCHEMBL5542350

[CH2]CC(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CES2 O00748 2/20 0.47
CYP2D6 P10635 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1C3 P42330 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL5538010 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL6780501 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL940712 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL2089563 0.81 CES2 (0.44) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL4796235 0.79 KIF11 (0.59) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL5544752 0.79 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL2094481 0.79 CHRM3 (0.42) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL13518647 0.76 CES2 (0.49) ALDH1A1CYP1A2CYP2C19CYP3A4CES2
SCHEMBL2096162 0.76 MAPT (0.51) CYP1A2CYP2C19CYP3A4CES2CYP2D6
SCHEMBL941466 0.76 ACHE (0.60) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6

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 ALDH1A1 355/4885CYP1A2 659/4885CYP2C19 2521/4885

“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.