SCHEMBL5544598

SCHEMBL5544598

FC(F)(F)c1ccc(CCCNc2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAOB P27338 1/20 0.40
CNR1 P21554 1/20 0.39
FDFT1 P37268 2/20 0.38
RORC P51449 1/20 0.38
MC4R P32245 1/20 0.38
MIF P14174 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37

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
SCHEMBL5540065 0.90 TAAR1 (0.47) FFAR1TAAR1HDAC1HDAC8MAOB
SCHEMBL5542612 0.87 ESRRG (0.47) CNR1
SCHEMBL27610543 0.83 ALDH1A1 (0.53) FFAR1TAAR1HDAC1HDAC8MCHR1
SCHEMBL5539336 0.83 FFAR1 (0.47) FFAR1TAAR1MAOBCNR1RORC
SCHEMBL5542803 0.83 RHOC (0.43) HDAC1HDAC8MCHR1RHOCRHOA
Hydrochloric Acid SCHEMBL4433362 0.82 L3MBTL1 (0.55) FFAR1TAAR1HDAC1HDAC8MCHR1
SCHEMBL5538844 0.82 TAAR1 (0.50) FFAR1TAAR1HDAC1HDAC8CNR1
SCHEMBL5539316 0.81 TAAR1 (0.44) FFAR1TAAR1MCHR1L3MBTL1
SCHEMBL5544782 0.81 FFAR1 (0.55) FFAR1HDAC1
SCHEMBL4432787 0.81 MAPT (0.50) FFAR1TAAR1HDAC1HDAC8MCHR1

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 FFAR1 105/4885TAAR1 364/4885HDAC1 322/4885

“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.