SCHEMBL5542558

SCHEMBL5542558

O=C1[N]CCN1Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
P2RX7 Q99572 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 2/20 0.46
CYP2A13 Q16696 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.44
TRPC5 Q9UL62 1/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5541841 0.88 P2RX7 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19P2RX7
SCHEMBL5537404 0.81 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19P2RX7
SCHEMBL5541638 0.81 CYP2A13 (0.45) KCNH2CYP2A13KDM4EALDH1A1
SCHEMBL5251526 0.80 DDB1 (0.49) CYP2D6CYP2C19DRD3KCNH2SIGMAR1
SCHEMBL24467444 0.77 CHRNA1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19P2RX7
SCHEMBL5536939 0.77 MEN1 (0.48) CYP1A2CYP3A4CYP2C19KCNH2MAPT
SCHEMBL5543146 0.75 ERCC1 (0.46) P2RX7DRD3KCNH2SMN1; SMN2SIGMAR1
SCHEMBL4133922 0.74 DRD2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19P2RX7
SCHEMBL5537759 0.73 POLB (0.49) CYP1A2CYP3A4CYP2D6DRD3KCNH2
SCHEMBL5539504 0.72 MAPT (0.60) CYP2C19P2RX7DRD2DRD3KCNH2

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 CYP1A2 659/4885CYP3A4 1683/4885CYP2D6 728/4885

“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.