SCHEMBL2091108

SCHEMBL2091108

O=[C]C/C=C/c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CHEK1 O14757 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CETP P11597 2/20 0.37
EPOR P19235 1/20 0.37
FFAR1 O14842 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
DAO P14920 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NFE2L2 Q16236 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL2091112 1.00 PIM1 (0.44) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL2090543 0.84 GRIK1 (0.34) PIM1PIM2
SCHEMBL2095720 0.83 PIM1 (0.47) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL2095719 0.83 PIM1 (0.47) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL5548259 0.83 PIM1 (0.42) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL5548260 0.83 PIM1 (0.42) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL2091116 0.82 PIM1 (0.46) PIM1PIM2CHEK1CHRM2CHRM1
SCHEMBL2091007 0.81 GRIK1 (0.48) PIM1PIM2MAOB
SCHEMBL2091009 0.81 GRIK1 (0.48) PIM1PIM2MAOB
SCHEMBL2092400 0.80 FBP1 (0.53) MAOAMAOBNFE2L2FBP1

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 PIM1 3429/4885PIM2 2138/4885CHEK1 4531/4885

“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.