SCHEMBL5540093

SCHEMBL5540093

Clc1cccc([CH]c2cc[nH]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
RELA Q04206 1/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 2/20 0.37
MAOB P27338 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FBP1 P09467 2/20 0.37
CHAT P28329 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL27564939 0.81 LCK (0.44) FBP1MEN1MAPTKMT2A
SCHEMBL5537187 0.79 NFE2L2 (0.47) CHRM5RELACYP1A2CYP2D6FBP1
SCHEMBL5535692 0.79 ALDH1A1 (0.44) CYP2D6MAOBCYP1B1PIM1PIM2
SCHEMBL1176839 0.77 KMT2A (0.35) CYP1A2MAOBMEN1KMT2A
SCHEMBL3300271 0.74 CHRM5 (0.62) CHRM5RELACYP1A2CYP2C9CYP2D6
SCHEMBL20535558 0.72
SCHEMBL7969857 0.71 NFE2L2 (0.49) CHRM5RELACYP1A2CYP2C9CYP2D6
SCHEMBL27352528 0.71 CHRM5 (0.42) CHRM5RELACYP1A2CYP2C9CYP2D6
SCHEMBL28846909 0.70 NFE2L2 (0.51) CHRM5RELACYP1A2CYP2C9CYP2D6
SCHEMBL3301775 0.69 CHRM5 (0.56) CHRM5RELACYP1A2CYP2C9CYP2D6

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 1480/4885RELA 998/4885CYP1A2 659/4885

“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.