SCHEMBL5544441

SCHEMBL5544441

O=[C]OCCC=Cc1ccccc1C(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 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 4/20 0.38
MAOA P21397 1/20 0.37
TNF P01375 2/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
KEAP1 Q14145 1/20 0.36
IL6 P05231 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5544437 1.00 NFKB1 (0.46) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL5534753 0.85 NFKB1 (0.49) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL5534752 0.85 NFKB1 (0.49) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL2096078 0.74 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL2096074 0.74 NFKB1 (0.58) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL27838199 0.74 NFKB1 (0.50) NFKB1MAOBBACE1P4HBABCG2
SCHEMBL5539359 0.73 CYP1A2 (0.44) MAOBP4HB
SCHEMBL5539362 0.73 CYP1A2 (0.44) MAOBP4HB
SCHEMBL5539321 0.73 IDO1 (0.44) MEN1KMT2A
SCHEMBL5539318 0.73 IDO1 (0.44) MEN1KMT2A

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NFKB1 1554/4885MAOB 2140/4885BACE1 3399/4885

“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.