SCHEMBL5539665

SCHEMBL5539665

CC(O)(COC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 4/20 0.40
CHRM4 P08173 1/20 0.40
PHGDH O43175 1/20 0.40
NAMPT P43490 1/20 0.39
STAT3 P40763 2/20 0.39
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5539659 1.00 LSS (0.42) LSSALDH1A1TSHRHRH2HRH1
SCHEMBL5538482 0.93 CHRM1 (0.41) ALDH1A1HRH2HRH1KCNH2
SCHEMBL5538475 0.93 CHRM1 (0.41) ALDH1A1HRH2HRH1KCNH2
SCHEMBL5546388 0.90 MDH1 (0.42) ALDH1A1STAT3MGLLKDM4E
SCHEMBL5546384 0.90 MDH1 (0.42) ALDH1A1STAT3MGLLKDM4E
SCHEMBL5540343 0.90 DRD2 (0.46) ALDH1A1MGLLSMN1; SMN2LMNAKDM4E
SCHEMBL5540333 0.90 DRD2 (0.46) ALDH1A1MGLLSMN1; SMN2LMNAKDM4E
SCHEMBL5536163 0.90 PTGS1 (0.43) ALDH1A1HRH2HRH1KCNH2CHRM4
SCHEMBL5536156 0.90 PTGS1 (0.43) ALDH1A1HRH2HRH1KCNH2CHRM4
SCHEMBL6010757 0.89 CHRM1 (0.41) LSSALDH1A1HRH2HRH1KCNH2

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 4 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
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 LSS 2164/4885ALDH1A1 355/4885TSHR 319/4885

“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.