SCHEMBL5534637

SCHEMBL5534637

C[C@](O)(COC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MLNR O43193 2/20 0.38
PHGDH O43175 1/20 0.37
MCHR1 Q99705 1/20 0.37
NOS2 P35228 3/20 0.37
NOS1 P29475 2/20 0.37
PAK1 Q13153 1/20 0.36
EPHX2 P34913 2/20 0.35
CYP3A4 P08684 1/20 0.35
CNR1 P21554 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL5534641 1.00 RHOC (0.39) RHOCRHOAALDH1A1MAPTNPC1
SCHEMBL5546384 0.87 MDH1 (0.42) ALDH1A1L3MBTL1
SCHEMBL5546388 0.87 MDH1 (0.42) ALDH1A1L3MBTL1
SCHEMBL5541112 0.87 LIPE (0.41) EPHX2CNR1
SCHEMBL5541109 0.87 LIPE (0.41) EPHX2CNR1
SCHEMBL5534947 0.86 ENPP2 (0.45) ALDH1A1MAPTMAPK1HTT
SCHEMBL5534954 0.86 ENPP2 (0.45) ALDH1A1MAPTMAPK1HTT
SCHEMBL5544607 0.82 MAOA (0.37) MAPTNPC1MAPK1
SCHEMBL5544610 0.82 MAOA (0.37) MAPTNPC1MAPK1
SCHEMBL5544613 0.82 MAOA (0.37) MAPTNPC1MAPK1

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 RHOC 3035/4885RHOA 4738/4885ALDH1A1 355/4885

“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.