SCHEMBL2096593

SCHEMBL2096593

COC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.71
PDK1 Q15118 1/20 0.64
MAPT P10636 4/20 0.62
LMNA P02545 4/20 0.62
GAA P10253 2/20 0.62
RAB9A P51151 1/20 0.61
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
GRM4 Q14833 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
TRPV1 Q8NER1 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
KCNJ5 P48544 1/20 0.56
KCNJ3 P48549 1/20 0.56
CNR2 P34972 1/20 0.55

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
SCHEMBL4589697 0.87 KDR (0.66) KDRPDK1MAPTLMNAGAA
SCHEMBL2096592 0.86 KDR (0.69) KDRPDK1MAPTLMNAGAA
SCHEMBL3653901 0.85 KDR (0.64) KDRPDK1MAPTLMNAGAA
Methane SCHEMBL11810260 0.84 KDR (0.62) KDRPDK1MAPTLMNAGAA
SCHEMBL462753 0.84 KDR (0.76) KDRPDK1MAPTLMNAGAA
SCHEMBL118026 0.83 KDR (1.00) KDRPDK1GRM4CA1CA2
SCHEMBL29364392 0.83 KDR (1.00) KDRPDK1GRM4CA1CA2
SCHEMBL14422909 0.82 KDR (0.64) KDRPDK1MAPTLMNAGAA
SCHEMBL2329430 0.82 KDR (0.78) KDRPDK1MAPTLMNAGAA
SCHEMBL9835641 0.82 KDR (0.78) KDRPDK1MAPTLMNAGAA

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 KDR 2859/4885PDK1 790/4885MAPT 4299/4885

“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.