SCHEMBL2088686

SCHEMBL2088686

CN(c1ccc(OC(F)(F)F)cc1)C1CCN(C2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.73
SLC6A2 P23975 1/20 0.73
SLC6A4 P31645 1/20 0.73
KCNH2 Q12809 6/20 0.67
CHRM1 P11229 1/20 0.39
CHRM4 P08173 3/20 0.37
MCHR1 Q99705 5/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
MCHR2 Q969V1 1/20 0.32
ACVR1 Q04771 1/20 0.31
ALK Q9UM73 2/20 0.30
ROS1 P08922 1/20 0.30

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
SCHEMBL2088688 1.00 PTGS1 (0.73) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2089522 0.96 PTGS1 (0.79) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2089518 0.96 PTGS1 (0.79) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2092733 0.91 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MCHR1
SCHEMBL2092737 0.91 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MCHR1
SCHEMBL2092326 0.91 PTGS1 (0.82) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2092323 0.91 PTGS1 (0.82) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2094112 0.88 PTGS1 (0.77) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2094109 0.88 PTGS1 (0.77) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2088990 0.87 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2CACNA1C

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.