SCHEMBL2090047

SCHEMBL2090047

COC(=O)Nc1ccccc1OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45

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
SCHEMBL2090046 0.87 L3MBTL1 (0.43) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL19483223 0.85 GAA (0.52) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL2091384 0.84 PDK1 (0.45) KMT2APDK1PDK2PDK3PDK4
SCHEMBL2091380 0.84 PDK1 (0.45) KMT2APDK1PDK2PDK3PDK4
SCHEMBL2096879 0.82 PDK1 (0.51) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL514089 0.82 KMT2A (0.68) KMT2AL3MBTL1ALDH1A1LMNATUBB4A
SCHEMBL11659356 0.79 HPGD (0.64) KMT2AL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL1859426 0.79 MAPK3 (0.49) KMT2APDK1PDK2PDK3PDK4
SCHEMBL31570118 0.79 KMT2A (0.49) KMT2AALDH1A1LMNAHSD17B10POLB
SCHEMBL1863718 0.79 TDP1 (0.48) KMT2AL3MBTL1PDK1PDK2PDK3

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 KMT2A 3324/4885L3MBTL1 2575/4885PDK1 790/4885

“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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