SCHEMBL2089818

SCHEMBL2089818

CCNc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ IDO1 P14902 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ POLB P06746 2/20 0.31

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
SCHEMBL6235230 0.86 GAA (0.45) ALDH1A1IDO1CHRM2L3MBTL1GAA
SCHEMBL10600724 0.74 CA12 (0.35) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL30994802 0.74 CHRM2 (0.58) ALDH1A1CHRM2L3MBTL1GAAMAPT
SCHEMBL1022424 0.74 CHRM2 (0.58) ALDH1A1CHRM2L3MBTL1GAAMAPT
SCHEMBL2091969 0.73 L3MBTL1 (0.46) PDK2L3MBTL1MAPTATMKDM4E
SCHEMBL2091268 0.72 GAA (0.37) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL6230288 0.72 GAA (0.43) ALDH1A1IDO1CHRM2GAAMAPT
SCHEMBL2091274 0.72 TSHR (0.53) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL2096879 0.72 PDK1 (0.51) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL147183 0.72 GAA (0.56) ALDH1A1L3MBTL1GAAMAPTLMNA

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 ALDH1A1 412/4885IDO1 2665/4885CHRM2 776/4885

“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.

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