SCHEMBL2089376

SCHEMBL2089376

CC1(COc2ccc(-c3ccc(N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
KCNH2 Q12809 5/20 0.62
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
ENPP2 Q13822 1/20 0.41
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.38
HTR1A P08908 1/20 0.38
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
GALR3 O60755 1/20 0.37
CHKA P35790 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
SCHEMBL2089375 1.00 PTGS1 (0.62) PTGS1SLC6A2SLC6A4KCNH2PPARD
SCHEMBL5543862 0.98 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2PPARD
SCHEMBL5534767 0.98 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2PPARD
SCHEMBL5544338 0.98 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2PPARD
SCHEMBL5542362 0.92 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5546422 0.92 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535614 0.92 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL15442168 0.91 KCNH2 (0.66) PTGS1SLC6A2SLC6A4KCNH2PPARD
SCHEMBL2093597 0.91 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL2093601 0.91 PTGS1 (0.59) 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.