SCHEMBL2093262

SCHEMBL2093262

CC(C)(C)c1ccccc1NC([O])=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
LPAR1 Q92633 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6448297 0.86 ALDH1A1 (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2093266 0.84 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5032627 0.84 GRIN2D (0.60) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL631133 0.84 ALDH1A1 (0.57) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29382911 0.84 ALDH1A1 (0.57) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16500999 0.82 CETP (0.61) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9077152 0.82 TGM2 (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13382332 0.81 ALDH1A1 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4422637 0.81 ALDH1A1 (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8980065 0.81 ALDH1A1 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 412/4885GRIN2D 263/4885GRIN3B 586/4885

“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.