SCHEMBL5544607

SCHEMBL5544607

C[C@](O)(COC(=O)N1CCN(/N=C/c2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ENPP2 Q13822 2/20 0.32
NPC1 O15118 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL5544613 1.00 MAOA (0.37) MAOAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL5544610 1.00 MAOA (0.37) MAOAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL14775139 0.92 SOS1 (0.36) MAPTMAPK1LMNASMN1; SMN2MEN1
SCHEMBL5543334 0.86 MAPT (0.45) MAOAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL5543337 0.86 MAPT (0.45) MAOAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL5543344 0.86 MAPT (0.45) MAOAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL5534947 0.86 ENPP2 (0.45) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL5534954 0.86 ENPP2 (0.45) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL5544060 0.86 ENPP2 (0.34) MAOALMNASMN1; SMN2HPGDMEN1
SCHEMBL5544050 0.86 ENPP2 (0.34) MAOALMNASMN1; SMN2HPGDMEN1

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 MAOA 2885/4885MAPT 4117/4885MAPK1 1392/4885

“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.