SCHEMBL2095763

SCHEMBL2095763

[CH2]COC/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
MAOB P27338 7/20 0.43
BACE1 P56817 1/20 0.40
P4HB P07237 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 6/20 0.39
MAOA P21397 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2095766 1.00 NFKB1 (0.46) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL5534753 0.76 NFKB1 (0.49) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL5534752 0.76 NFKB1 (0.49) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL1045892 0.75 NFKB1 (0.47) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL1045891 0.75 NFKB1 (0.47) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL2096779 0.75 HSD11B1 (0.42) MEN1KMT2ARAB9A
SCHEMBL2096780 0.75 HSD11B1 (0.42) MEN1KMT2ARAB9A
SCHEMBL6299405 0.74 NFKB1 (0.36) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL638980 0.74 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL2096078 0.74 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2

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 NFKB1 1248/4885MAOB 1654/4885BACE1 3500/4885

“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.