SCHEMBL2092902

SCHEMBL2092902

O=C(O)Nc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.47
▸ PDK2 Q15119 2/20 0.47
▸ PDK3 Q15120 2/20 0.47
▸ PDK4 Q16654 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ MLYCD O95822 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL2092900 0.87 PDK1 (0.47) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL2095943 0.86 GAA (0.55) PDK1PDK2PDK3PDK4GAA
SCHEMBL2096879 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL2096877 0.83 PDK1 (0.43) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL2091384 0.79 PDK1 (0.45) PDK1PDK2PDK3PDK4GAA
SCHEMBL29177412 0.75 GAA (0.44) PDK1PDK2PDK3PDK4GAA
SCHEMBL10383543 0.75 ATM (0.53) ALDH1A1GAAL3MBTL1MLYCDTDP1
SCHEMBL2091274 0.75 TSHR (0.53) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL2091268 0.75 GAA (0.37) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4247156 0.74 KDM4E (0.50) ALDH1A1TDP1TSHRKDM4EKMT2A

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 PDK1 790/4885PDK2 126/4885PDK3 271/4885

“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.

Send feedback