SCHEMBL5548401

SCHEMBL5548401

[CH2]CN1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
EPHX2 P34913 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
FFAR1 O14842 3/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
LTA4H P09960 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL5534518 0.91 TP53 (0.55) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5542694 0.87 TP53 (0.52) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5540260 0.86 TP53 (0.51) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5536390 0.85 TP53 (0.50) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5544454 0.85 TP53 (0.59) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL10607349 0.83 OPRK1 (0.61) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5541704 0.83 ADRB2 (0.53) EPHX2HRH3CARM1PRMT6
SCHEMBL20858622 0.82 SLC6A2 (0.69) TP53MEN1KMT2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10607357 0.82 OPRK1 (0.60) TP53MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5544461 0.82 MEN1 (0.61) TP53MEN1KMT2ASLC6A2SLC6A4

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 TP53 4494/4885MEN1 3295/4885KMT2A 4267/4885

“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.