SCHEMBL5544854

SCHEMBL5544854

CN(CC1Cn2cc([N+](=O)[O-])nc2O1)C(=O)OCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
SOS1 Q07889 1/20 0.38
KCNH2 Q12809 5/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
HTR2A P28223 6/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MGMT P16455 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL5545459 0.78 KCNH2 (0.51) CHRM1SOS1KCNH2CACNA1CSCN5A
SCHEMBL5540914 0.72 HTR2A (0.40) HTR2ALMNASMN1; SMN2
SCHEMBL1228680 0.71 GRM2 (0.49) CHRM1SOS1KCNH2CACNA1CSCN5A
SCHEMBL1229247 0.71 CHRM1 (0.42) CHRM1KCNH2CACNA1CSCN5AALDH1A1
SCHEMBL6010744 0.70 CHRM1 (0.44) CHRM1KCNH2ALDH1A1
SCHEMBL5542598 0.70 CHRM1 (0.44) CHRM1KCNH2ALDH1A1
SCHEMBL14775274 0.70 CHRM1 (0.39) CHRM1KCNH2LMNAALDH1A1
SCHEMBL18031624 0.70 CHRM1 (0.41) CHRM1SOS1KCNH2CACNA1CSCN5A
SCHEMBL5541985 0.69 CHRM1 (0.40) CHRM1KCNH2CACNA1CSCN5AALDH1A1
SCHEMBL5539431 0.69 CHRM1 (0.44) CHRM1SOS1KCNH2ALDH1A1

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 CHRM1 463/4885SOS1 768/4885KCNH2 3503/4885

“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.