SCHEMBL2097657

SCHEMBL2097657

CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(OCC3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
FAAH O00519 1/20 0.35
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
LSS P48449 1/20 0.34
GALR3 O60755 1/20 0.34
MCHR1 Q99705 2/20 0.33
NR1D1 P20393 1/20 0.33
CHRM1 P11229 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
SCHEMBL2089043 0.90 PTGS1 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL2089046 0.90 PTGS1 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3465287 0.86 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5543220 0.86 KCNH2 (0.45) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL2097656 0.82 KCNH2 (0.54) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3467400 0.80 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5543025 0.80 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5544387 0.80 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5543031 0.80 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541607 0.79 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 KCNH2 3121/4885PTGS1 2872/4885SLC6A2 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.