SCHEMBL2095183

SCHEMBL2095183

[CH2]Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.45
CETP P11597 2/20 0.43
SERPINE1 P05121 1/20 0.43
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DYRK1A Q13627 2/20 0.42
DAO P14920 1/20 0.42
XDH P47989 1/20 0.42
GALR1 P47211 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MME P08473 1/20 0.41
KCNH2 Q12809 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ABL1 P00519 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL447002 0.90 CETP (0.51) CETPCHRM3CHRM2CHRM1DAO
SCHEMBL27900220 0.89 SLC13A5 (0.53) SLC13A5SERPINE1XDHGALR1FFAR1
SCHEMBL2090200 0.87 AGXT (0.37) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL2090549 0.87 CHRM3 (0.47) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL18015806 0.85 CTSS (0.47) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL5507355 0.83 SLC13A5 (0.48) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL3722118 0.83 HTR2C (0.48) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL5510433 0.83 ABL1 (0.54) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL18014714 0.81 KCNH2 (0.48) SLC13A5CETPSERPINE1CHRM3CHRM2
SCHEMBL21116132 0.80 DYRK1A (0.45) SLC13A5CETPSERPINE1CHRM3CHRM2

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 SLC13A5 3433/4885CETP 4848/4885SERPINE1 4671/4885

“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.