SCHEMBL5545938

SCHEMBL5545938

[CH2]c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
MAPT P10636 4/20 0.63
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
TSHR P16473 1/20 0.62
DRD4 P21917 4/20 0.61
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL5540751 0.86 SIGMAR1 (0.65) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL4493810 0.86 MAPT (0.66) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL5540754 0.86 DRD4 (0.73) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL5548733 0.85 DRD4 (0.77) SIGMAR1DRD4DRD2DRD3HTR1A
SCHEMBL4506302 0.80 POLB (0.65) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL14758313 0.80 MAPT (0.60) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL5537735 0.80 KDM4E (0.62) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL9374413 0.79 SIGMAR1 (0.76) SIGMAR1MAPTTSHRDRD4DRD2
SCHEMBL7517306 0.78 DRD2 (0.67) SIGMAR1MAPTKDM4EALDH1A1TSHR
SCHEMBL588149 0.77 DRD4 (1.00) SIGMAR1MAPTKDM4EALDH1A1DRD4

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 SIGMAR1 234/4885MAPT 4117/4885KDM4E 4854/4885

“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.