SCHEMBL5539559

SCHEMBL5539559

[CH2]c1cccc(Oc2ccc(C(F)(F)C(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39
KIF11 P52732 1/20 0.38
LTA4H P09960 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
FURIN P09958 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL5541954 0.86 KIF11 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL5538666 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL5544915 0.79 CETP (0.43) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL6586546 0.79 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL6746131 0.77 KIF11 (0.50) ALDH1A1MAPTKIF11LTA4HPOLB
SCHEMBL2204453 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL5535131 0.76 KIF11 (0.43) ALDH1A1MAPTKIF11LTA4HPOLB
SCHEMBL95809 0.76 LTA4H (0.57) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL5669904 0.75 MAOB (0.47) ALDH1A1SMN1; SMN2MAPTMEN1MITF
SCHEMBL9343331 0.74 LTA4H (0.55) ALDH1A1SMN1; SMN2MAPTMEN1MITF

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 ALDH1A1 355/4885SMN1; SMN2 3985/4885MAPT 4117/4885

“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.