SCHEMBL2097565

SCHEMBL2097565

[O]c1ccc2c(c1)CCC(=O)N2Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 7/20 0.52
MAPT P10636 1/20 0.51
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2056195 0.87 CHRM5 (0.51) CHRM5MAPTHDAC6HDAC1HDAC8
SCHEMBL2093363 0.85 HDAC6 (0.51) CHRM5HDAC6HDAC1HDAC8POLB
SCHEMBL11100815 0.82 CHRM5 (0.56) CHRM5HTR2CALDH1A1
SCHEMBL2090324 0.81 HDAC6 (0.62) MAPTHDAC6HDAC1HDAC8POLB
SCHEMBL2094308 0.79 HDAC1 (0.47) CHRM5HDAC6HDAC1HDAC8ALDH1A1
SCHEMBL4537702 0.76 HCRTR1 (0.54) CHRM5ALDH1A1
SCHEMBL3315683 0.76 CYP11B1 (0.54) CHRM5MAPTHDAC6
SCHEMBL29173745 0.75 CMA1 (0.54) CHRM5MAPTHDAC6HDAC1HDAC8
SCHEMBL29173705 0.73 HDAC6 (0.54) MAPTHDAC6HDAC1HDAC8POLB
SCHEMBL3307704 0.73 MAPT (0.53) CHRM5MAPT

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 3 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

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 CHRM5 1391/4885MAPT 4299/4885HDAC6 901/4885

“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.