SCHEMBL2092977

SCHEMBL2092977

[CH2]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.47
CHRM4 P08173 8/20 0.46
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 2/20 0.42
LCAT P04180 1/20 0.42
CHRM2 P08172 1/20 0.42
CASR P41180 2/20 0.42
EPHX2 P34913 1/20 0.42
NOTUM Q6P988 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL1244796 0.83 FFAR4 (0.50) FFAR4CHRM4KCNA5LCATCHRM2
SCHEMBL435084 0.83 EPHX2 (0.55) FFAR4CHRM4KCNA5KCNH2LCAT
SCHEMBL22816541 0.83 FFAR4 (0.47) FFAR4CHRM4KCNA5KCNH2LCAT
SCHEMBL29471932 0.80 KCNA5 (0.50) FFAR4CHRM4KCNA5KCNH2EPHX2
SCHEMBL2426703 0.80 KCNA5 (0.50) FFAR4KCNA5KCNH2EPHX2
SCHEMBL2088948 0.80 EPHX2 (0.42) EPHX2HTR2A
SCHEMBL2056186 0.80 CHRM4 (0.55) CHRM4KCNH2CHRM2
SCHEMBL2097055 0.80 CHRM4 (0.42) FFAR4CHRM4LCATCHRM2EPHX2
SCHEMBL30388910 0.80 FFAR4 (0.44) FFAR4CHRM4KCNA5KCNH2LCAT
SCHEMBL5547938 0.80 CASR (0.50) FFAR4CHRM4KCNA5KCNH2CHRM2

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 FFAR4 141/4885CHRM4 1284/4885KCNA5 3338/4885

“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.