SCHEMBL5535342

SCHEMBL5535342

CN(C[C@](C)(O)Cn1cc([N+](=O)[O-])nc1Cl)C1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.38
ENPP2 Q13822 1/20 0.36
CYP3A4 P08684 4/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
LMNA P02545 2/20 0.34
DEGS1 O15121 1/20 0.34
CHRM4 P08173 1/20 0.33
NOTUM Q6P988 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.33
SLC6A9 P48067 1/20 0.33
CCR1 P32246 2/20 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
SCHEMBL5535348 1.00 SERPINE1 (0.38) SERPINE1ENPP2CYP3A4PTGS1SLC6A2
SCHEMBL5539491 0.92 KMT2A (0.38) ENPP2CYP3A4PTGS1SLC6A2SLC6A4
SCHEMBL5539485 0.92 KMT2A (0.38) ENPP2CYP3A4PTGS1SLC6A2SLC6A4
SCHEMBL5536827 0.90 PTGS1 (0.46) CYP3A4PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL5536822 0.90 PTGS1 (0.46) CYP3A4PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL5540765 0.88 CYP3A4 (0.34) CYP3A4PTGS1SLC6A2SLC6A4GPR119
SCHEMBL5540771 0.88 CYP3A4 (0.34) CYP3A4PTGS1SLC6A2SLC6A4GPR119
SCHEMBL5542825 0.84 ENPP2 (0.41) SERPINE1ENPP2LMNADEGS1CCR1
SCHEMBL5545114 0.79 SOS1 (0.38) LMNAALDH1A1KMT2A
SCHEMBL5545110 0.79 SOS1 (0.38) LMNAALDH1A1KMT2A

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 SERPINE1 4678/4885ENPP2 2915/4885CYP3A4 1683/4885

“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.