SCHEMBL5543553

SCHEMBL5543553

FC(F)(F)c1ccccc1COc1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
MAOA P21397 1/20 0.58
IDO1 P14902 2/20 0.54
SPHK2 Q9NRA0 3/20 0.42
SPHK1 Q9NYA1 3/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
F2 P00734 1/20 0.41
SLC6A4 P31645 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PRMT5 O14744 1/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
TACR1 P25103 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL5544193 0.84 MAOB (0.46) MAOBMAOAIDO1ALOX5FFAR4
SCHEMBL5535257 0.83 MAOB (0.45) MAOBMAOAIDO1FFAR4
SCHEMBL27629438 0.81 MAOB (0.44) MAOBMAOAIDO1FFAR4
SCHEMBL12423202 0.81 MAOB (0.68) MAOBMAOAIDO1SPHK2SPHK1
SCHEMBL28756697 0.80 MAOB (0.43) MAOBMAOAIDO1FFAR4
SCHEMBL6331479 0.80 MAOB (0.66) MAOBMAOAIDO1SPHK2SPHK1
SCHEMBL13439800 0.78 MAOB (0.63) MAOBMAOAIDO1SPHK2SPHK1
SCHEMBL13462731 0.78 MAOB (0.71) MAOBMAOAIDO1SPHK2SPHK1
SCHEMBL5541550 0.78 OPRM1 (0.44) MAOBMAOAALOX5APSLC6A4FFAR1
SCHEMBL863430 0.77 MAOB (0.60) MAOBIDO1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343768-A1 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP claimed
WO-2002059082-A2 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
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
EP-1343768-A1 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP disclosed
WO-2002059082-A2 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO disclosed
EP-0745072-A1 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1996-12-04 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 MAOB 2140/4885MAOA 2885/4885IDO1 3181/4885

“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.