SCHEMBL2090218

SCHEMBL2090218

CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 5/20 0.58
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GPR119 Q8TDV5 1/20 0.40
ATR Q13535 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
MET P08581 1/20 0.38
RET P07949 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5016289 1.00 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2097952 0.98 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2097953 0.98 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2089499 0.95 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2089496 0.95 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL3465895 0.90 PTGS1 (0.58) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL13282035 0.88 KCNH2 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010817 0.87 KCNH2 (0.56) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010803 0.86 KCNH2 (0.63) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010760 0.86 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2MAPT

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 PTGS1 2872/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.