SCHEMBL1755048

SCHEMBL1755048

C[C@]1(COc2ccc(N3CCC(COCc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A4 P31645 1/20 0.66
KCNH2 Q12809 6/20 0.59
CHRM1 P11229 1/20 0.39
ENPP2 Q13822 2/20 0.38
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
SLC6A9 P48067 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
F10 P00742 1/20 0.32
MAPT P10636 1/20 0.32
HTR1A P08908 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
REN P00797 1/20 0.32
SERPINE1 P05121 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL1754119 1.00 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1754222 1.00 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2088771 0.94 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2088765 0.94 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2095337 0.93 PTGS1 (0.77) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1047270 0.93 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1044030 0.93 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1044032 0.93 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2093878 0.90 PTGS1 (0.72) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2093885 0.90 PTGS1 (0.72) PTGS1SLC6A2SLC6A4KCNH2CHRM1

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 6 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 claimed
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 claimed
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 claimed
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.