SCHEMBL2093676

SCHEMBL2093676

[CH2]OC(=O)Nc1ccccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
ACHE P22303 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
TP53 P04637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2093681 0.87 ALDH1A1 (0.54) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL2089674 0.85 KMT2A (0.48) KMT2AL3MBTL1KDM4ETSHRPOLB
SCHEMBL105237 0.81 BRD4 (0.55) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL5203410 0.81 IRAK4 (0.59) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL2088832 0.81 ALDH1A1 (0.51) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL2088830 0.81 ALDH1A1 (0.51) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL514088 0.81 KMT2A (0.62) ALDH1A1KMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL29990960 0.81 ALDH1A1 (0.49) ALDH1A1ACHEMRGPRX1IRAK4TP53
SCHEMBL2090046 0.77 L3MBTL1 (0.43) ALDH1A1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL7330805 0.77 TP53 (0.54) ALDH1A1ACHEMRGPRX1TP53KMT2A

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 412/4885ACHE 4734/4885MRGPRX1 2443/4885

“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.