SCHEMBL2094948

SCHEMBL2094948

c1ccc(C(OC2CC(OC(c3ccccc3)c3ccccc3)C(OC(c3ccccc3)c3ccccc3)C[N]2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.41
DRD3 P35462 3/20 0.41
SLC6A2 P23975 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A4 P31645 2/20 0.41
DRD2 P14416 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH2 P25021 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL6003228 0.68 DRD3 (0.42) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL19476362 0.65 SLC6A3 (0.46) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL29198884 0.62 SLC6A2 (0.59) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL8643817 0.61 DRD3 (0.59) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL9166915 0.60 SLC6A3 (0.41) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL9171879 0.60 SLC6A3 (0.43) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL9171552 0.60 SLC6A3 (0.43) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL10727267 0.60 DRD3 (0.62) SLC6A3DRD3SLC6A2CHRM2ADRA2A
SCHEMBL11403533 0.60 DRD3 (0.53) SLC6A3DRD3SLC6A2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL29687879 0.59 CHRM3 (0.53) SLC6A3DRD3SLC6A2CHRM2ADRA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A3 3737/4885DRD3 441/4885SLC6A2 3591/4885

“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.