SCHEMBL2097320

SCHEMBL2097320

[CH2]C=Cc1ccc(F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
NFE2L2 Q16236 10/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX5 P09917 1/20 0.36
CASP3 P42574 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
ACHE P22303 2/20 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
SCHEMBL2097319 1.00 PTGS2 (0.42) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL18906997 0.81 PTGS1 (0.43) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL13678718 0.81 PTGS1 (0.43) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL20125001 0.79 PTGS1 (0.46) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL867378 0.78 PTGS2 (0.41) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL1689607 0.78 NFE2L2 (0.61) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL294148 0.78 AMY1A (0.42) PTGS2PTGS1ALOX5
SCHEMBL1689618 0.78 NFE2L2 (0.61) PTGS2PTGS1NFE2L2HTR2AHTR2C
SCHEMBL294149 0.78 AMY1A (0.42) PTGS2PTGS1ALOX5
SCHEMBL9651833 0.75 PTGS1 (0.39) PTGS2PTGS1NFE2L2HTR2AHTR2C

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 PTGS2 1591/4885PTGS1 2872/4885NFE2L2 418/4885

“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.