SCHEMBL2093891

SCHEMBL2093891

[CH2]COC(=O)N(C)c1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSPO P30536 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
C1R P00736 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
ELANE P08246 1/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL17420660 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCA12CA9KMT2A
SCHEMBL2091261 0.81 DDB1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6003215 0.78 SIGMAR1 (0.54) ALDH1A1NCEH1LMNA
SCHEMBL515011 0.76 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL29837226 0.75 PAX8 (0.41) ALDH1A1TSHRSMN1; SMN2TSPOTP53
SCHEMBL6002255 0.75 RXRA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6002450 0.75 PTGIR (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL2092008 0.73 GAA (0.41) ALDH1A1TSHRSMN1; SMN2TSPOTP53
SCHEMBL2092009 0.73 CA12 (0.41) ALDH1A1TSHRSMN1; SMN2TSPOTP53
SCHEMBL19155104 0.73 TSPO (0.51) ALDH1A1TSHRSMN1; SMN2TSPOTP53

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 7 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
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 CHRNB2 1347/4885CHRNB4 2784/4885CHRNA3 1232/4885

“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.