SCHEMBL5540076

SCHEMBL5540076

[CH2]CCCN1CCN(C(=O)OCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
FAAH O00519 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MMP1 P03956 1/20 0.45
MMP12 P39900 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CACNA1G O43497 1/20 0.44
CARM1 Q86X55 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
SCHEMBL5544798 0.97 KMT2A (0.48) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5546101 0.93 LMNA (0.51) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL27610400 0.89 MEN1 (0.52) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5542400 0.88 KMT2A (0.47) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5542397 0.88 KMT2A (0.49) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5544357 0.87 SIGMAR1 (0.47) FAAHDRD2DRD3SIGMAR1ENPP2
SCHEMBL5547327 0.87 KMT2A (0.49) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5547332 0.87 KMT2A (0.47) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL5537533 0.85 GRIN2B (0.52) LMNAFAAHALDH1A1KDM4EDRD2
SCHEMBL5544161 0.85 FNTA (0.54) LMNAALDH1A1SIGMAR1CARM1PRMT6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 KMT2A 4267/4885MEN1 3295/4885LMNA 4152/4885

“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.