SCHEMBL2089032

SCHEMBL2089032

C[C@]1(COc2ccc3nc(N4CCC(=Cc5ccc(OC(F)(F)F)cc5)CC4)ccc3c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
SLC6A4 P31645 2/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
MCHR1 Q99705 4/20 0.40
CHRM1 P11229 1/20 0.38
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
OGA O60502 1/20 0.34
HTR1A P08908 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL2089035 1.00 KCNH2 (0.66) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL2089037 1.00 KCNH2 (0.66) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL1043325 0.86 KCNH2 (0.65) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL1078166 0.86 KCNH2 (0.65) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL1043326 0.86 KCNH2 (0.65) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL5543023 0.81 KCNH2 (1.00) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL5543029 0.81 KCNH2 (1.00) KCNH2SLC6A4PTGS1SLC6A2MCHR1
SCHEMBL2097676 0.79 KCNH2 (0.73) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL1754217 0.79 KCNH2 (0.73) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL1754403 0.79 KCNH2 (0.73) KCNH2SLC6A4PTGS1SLC6A2CHRM1

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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 KCNH2 3121/4885SLC6A4 4365/4885PTGS1 2872/4885

“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.