SCHEMBL2092008

SCHEMBL2092008

CN(C([O])=O)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
C1R P00736 1/20 0.40
TSPO P30536 1/20 0.36
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL2092009 0.83 CA12 (0.41) GAAALDH1A1TP53MAPTTSHR
SCHEMBL19155104 0.83 TSPO (0.51) GAAALDH1A1TP53MAPTTSHR
SCHEMBL5262047 0.82 MAPT (0.39) GAAALDH1A1TP53MAPTTSHR
SCHEMBL31276830 0.79 RAB9A (0.46) ALDH1A1TP53SMN1; SMN2KMT2AKDM4E
SCHEMBL28703515 0.77 BTK (0.41) GAAALDH1A1TP53MAPTTSHR
SCHEMBL28499158 0.77 GAA (0.36) GAAALDH1A1TP53MAPTTSHR
SCHEMBL2090213 0.77 HSD17B1 (0.49) ALDH1A1TP53MAPTSMN1; SMN2SIGMAR1
SCHEMBL31389173 0.76 RAB9A (0.44) MAPTSMN1; SMN2
SCHEMBL2091486 0.75 DDB1 (0.47) GAAALDH1A1TP53MAPTTSHR
SCHEMBL2097563 0.75 GPBAR1 (0.47) GAAALDH1A1TP53MAPTTSHR

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 GAA 3982/4885ALDH1A1 412/4885TP53 4732/4885

“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.