SCHEMBL5541272

SCHEMBL5541272

CC1(CN2CCN(C(=O)OCc3ccc(C(=O)c4ccccc4)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
LIN28A Q9H9Z2 1/20 0.41
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ENPP2 Q13822 2/20 0.36
ATXN2 Q99700 1/20 0.36
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MGLL Q99685 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34

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
SCHEMBL5542184 0.94 KCNH2 (0.48) KCNH2CACNA1CSCN5ALIN28APTGS1
Hydrochloric Acid SCHEMBL5541526 0.93 KCNH2 (0.47) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL14562880 0.92 KCNH2 (0.47) KCNH2CACNA1CSCN5ALIN28APTGS1
Hydrochloric Acid SCHEMBL5537483 0.91 KCNH2 (0.46) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL5542291 0.91 KCNH2 (0.46) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL5539511 0.90 KCNH2 (0.48) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL5537382 0.89 KCNH2 (0.47) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL6010792 0.89 KCNH2 (0.57) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL5544102 0.88 KCNH2 (0.44) KCNH2CACNA1CSCN5ALIN28APTGS1
SCHEMBL5537724 0.87 KCNH2 (0.46) KCNH2CACNA1CSCN5ALIN28APTGS1

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 KCNH2 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.