SCHEMBL2098029

SCHEMBL2098029

[CH2]OC(=O)Nc1cccc(OC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
PLAU P00749 3/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAT P00750 1/20 0.53
KLKB1 P03952 1/20 0.53
PRSS1 P07477 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 1/20 0.52
FAAH O00519 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CNR1 P21554 1/20 0.51
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.49

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
SCHEMBL2098030 0.87 ALDH1A1 (0.66) CA2PLAUF2PLGPLAT
SCHEMBL2094011 0.85 ALDH1A1 (0.45) CA2PLAUALDH1A1KMT2AMEN1
SCHEMBL2096258 0.84 TP53 (0.62) ALDH1A1KMT2ALMNATP53HPGD
SCHEMBL2093222 0.82 CA2 (0.58) CA2PLAUF2PLGPLAT
SCHEMBL2095024 0.82 ALDH1A1 (0.65) CA2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2093226 0.82 CA2 (0.58) CA2PLAUF2PLGPLAT
SCHEMBL17680726 0.82 CA2 (0.58) CA2PLAUF2PLGPLAT
SCHEMBL5894005 0.82 CA2 (0.52) CA2PLAUF2PLGPLAT
SCHEMBL6471747 0.81 GLA (0.68) CA2PLAUF2PLGPLAT
SCHEMBL19531630 0.81 MTNR1B (0.62) CA2PLAUF2PLGPLAT

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 CA2 2002/4885PLAU 4831/4885F2 4733/4885

“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.