SCHEMBL5544252

SCHEMBL5544252

CC1(CN2CCN(C(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
ITGAL P20701 3/20 0.39
CCR2 P41597 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL5537162 0.91 SMN1; SMN2 (0.48) GPR183NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5534983 0.81 KCNH2 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KCNH2
SCHEMBL5540651 0.81 KCNH2 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KCNH2
SCHEMBL5544246 0.81 KCNH2 (0.43) NPC1RAB9AALDH1A1KCNH2CACNA1C
SCHEMBL4442211 0.79 KCNH2 (0.51) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A
SCHEMBL4441674 0.79 KCNH2 (0.51) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A
SCHEMBL4441668 0.79 KCNH2 (0.51) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A
Fumaric Acid SCHEMBL5545101 0.79 KCNH2 (0.48) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A
Maleic Acid SCHEMBL5545089 0.79 KCNH2 (0.48) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A
Fumaric Acid SCHEMBL5545106 0.79 KCNH2 (0.48) ALDH1A1SMN1; SMN2KCNH2CACNA1CSCN5A

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 GPR183 409/4885NPC1 2404/4885RAB9A 2824/4885

“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.