SCHEMBL2098030

SCHEMBL2098030

COC(=O)Nc1cccc(OC(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
FAAH O00519 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPK1 P28482 1/20 0.66
CA2 P00918 1/20 0.57
PLAU P00749 3/20 0.56
F2 P00734 1/20 0.56
PLG P00747 1/20 0.56
PLAT P00750 1/20 0.56
KLKB1 P03952 1/20 0.56
PRSS1 P07477 1/20 0.56
KMT2A Q03164 3/20 0.55
TP53 P04637 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CNR1 P21554 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL2098029 0.87 CA2 (0.54) ALDH1A1FAAHCYP3A4MAPK1CA2
SCHEMBL17680726 0.85 CA2 (0.58) ALDH1A1MAPK1CA2PLAUF2
SCHEMBL2093222 0.85 CA2 (0.58) ALDH1A1CYP3A4CA2PLAUF2
SCHEMBL2093226 0.85 CA2 (0.58) ALDH1A1FAAHCYP3A4MAPK1CA2
SCHEMBL5894005 0.84 CA2 (0.52) ALDH1A1FAAHCYP3A4MAPK1CA2
SCHEMBL2096261 0.84 TP53 (0.68) ALDH1A1FAAHCYP3A4MAPK1KMT2A
SCHEMBL4123557 0.84 TP53 (0.72) ALDH1A1MAPK1CA2KMT2ATP53
SCHEMBL19531630 0.83 MTNR1B (0.62) ALDH1A1CA2PLAUF2PLG
SCHEMBL6471747 0.83 GLA (0.68) ALDH1A1CA2PLAUF2PLG
SCHEMBL11128200 0.83 TSHR (0.56) ALDH1A1FAAHCYP3A4MAPK1KMT2A

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 412/4885FAAH 3448/4885CYP3A4 1734/4885

“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.