SCHEMBL5543150

SCHEMBL5543150

Clc1cccc([CH]c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FBP1 P09467 2/20 0.36
IDO1 P14902 1/20 0.36
CHAT P28329 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL3656377 0.78 KMT2A (0.34) CYP1A2MAOBMEN1KMT2ANPC1
SCHEMBL5536421 0.74 HPGDS (0.30)
SCHEMBL3300271 0.73 CHRM5 (0.62) CHRM5CYP1A2CYP2C9MAOAMAOB
SCHEMBL8441257 0.68 CHRM5 (0.56) CHRM5CYP1A2CYP2C9MAOBFBP1
SCHEMBL3301775 0.68 CHRM5 (0.56) CHRM5CYP1A2CYP2C9MAOAMAOB
SCHEMBL704879 0.67 IDO1 (0.54) IDO1RELANPC1
SCHEMBL2093969 0.66 CHRM5 (0.54) CHRM5CYP1A2CYP2C9MAOAMAOB
SCHEMBL699364 0.65 CHAT (0.67) CHRM5CYP1A2CYP2C9MAOAMAOB
SCHEMBL699365 0.65 CHAT (0.67) CHRM5CYP1A2CYP2C9MAOAMAOB
SCHEMBL7971923 0.65 CHRM5 (0.47) CHRM5CYP1A2CYP2C9MAOAMAOB

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 CHRM5 1480/4885CYP1A2 659/4885CYP2C9 2351/4885

“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.