SCHEMBL5535773

SCHEMBL5535773

Oc1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
DRD4 P21917 5/20 0.60
HTT P42858 1/20 0.60
CYP2A13 Q16696 1/20 0.60
POLB P06746 1/20 0.59
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
PLA2G1B P04054 1/20 0.50
RAB9A P51151 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CXCR4 P61073 1/20 0.48
HTR2C P28335 1/20 0.47

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
SCHEMBL5541696 0.88 KDM4E (0.78) KDM4EALDH1A1GAAMAPTDRD4
SCHEMBL5535766 0.86 KDM4E (0.61) KDM4EALDH1A1GAAMAPTDRD4
SCHEMBL5537718 0.77 KDM4E (0.61) KDM4EALDH1A1GAAMAPTDRD4
SCHEMBL5543088 0.77 KMT2A (0.74) KDM4EALDH1A1GAAMAPTDRD4
SCHEMBL5536775 0.77 DRD4 (0.68) KDM4EALDH1A1GAAMAPTDRD4
SCHEMBL2107499 0.76 ALDH1A1 (0.96) KDM4EALDH1A1DRD4HTTCYP2A13
SCHEMBL18753626 0.75 KDM4E (0.70) KDM4EALDH1A1DRD4HTTCYP2A13
SCHEMBL2876563 0.75 DRD4 (1.00) GAADRD4DRD2DRD3HTR2C
SCHEMBL4105461 0.75 CYP2A13 (1.00) KDM4EALDH1A1HTTCYP2A13POLB
SCHEMBL29941203 0.75 ALDH1A1 (1.00) KDM4EALDH1A1DRD4CYP2A13POLB

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 355/4885GAA 4165/4885

“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.