SCHEMBL2096074

SCHEMBL2096074

[O]C/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.58
MAOB P27338 9/20 0.49
BACE1 P56817 1/20 0.48
P4HB P07237 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAOA P21397 1/20 0.44
TNF P01375 2/20 0.44
IL6 P05231 1/20 0.44
RAB9A P51151 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41

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
SCHEMBL2096078 1.00 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL27532447 0.81 NFKB1 (0.53) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL27298516 0.81 NFKB1 (0.53) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL638979 0.81 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL27532448 0.81 NFKB1 (0.53) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL29374535 0.81 NFKB1 (0.53) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL256657 0.81 NFKB1 (0.53) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL638980 0.81 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL6513846 0.81 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL7141613 0.79 NFKB1 (0.60) 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 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 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.