SCHEMBL5541648

SCHEMBL5541648

O=[C]CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ CHKA P35790 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HIF1A Q16665 3/20 0.51
▸ EPAS1 Q99814 3/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ TEAD1 P28347 2/20 0.50
▸ CASP1 P29466 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ TACR1 P25103 1/20 0.48
▸ CACNA1G O43497 1/20 0.48
▸ PRKAB2 O43741 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PRKAG3 Q9UGI9 1/20 0.48
▸ PRKAG2 Q9UGJ0 1/20 0.48

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
SCHEMBL5540357 0.85 KDM4E (0.65) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL5541063 0.84 CYP2D6 (0.51) KDM4EALDH1A1HIF1ACASP1CASP5
SCHEMBL5536269 0.80 ALDH1A1 (0.67) ALDH1A1TEAD1
SCHEMBL29586728 0.79 KDM4E (0.89) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL21620787 0.79 ALDH1A1 (0.96) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL2056183 0.78 CHKA (0.80) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL12991443 0.78 KDM4E (0.69) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL2323008 0.78 LMNA (0.62) ALDH1A1L3MBTL1
SCHEMBL13574523 0.78 ALDH1A1 (1.00) KDM4EALDH1A1CHKAL3MBTL1HIF1A
SCHEMBL3030830 0.78 SIGMAR1 (0.69) KDM4EALDH1A1SIGMAR1

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 7 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
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 KDM4E 4854/4885ALDH1A1 355/4885CHKA 4080/4885

“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.

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