SCHEMBL5540256

SCHEMBL5540256

O=COCCCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.45
GAA P10253 1/20 0.44
MIF P14174 1/20 0.43
ACP3 P15309 1/20 0.43
DAO P14920 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
HTR2B P41595 2/20 0.42
NR4A2 P43354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 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
SCHEMBL2096391 0.99 TAAR1 (0.51) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL2095502 0.94 TAAR1 (0.53) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL2093850 0.88 TAAR1 (0.56) HDAC1HDAC8TAAR1IDO1MIF
SCHEMBL2095550 0.84 TAAR1 (0.51) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL2090245 0.82 HDAC1 (0.48) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL2091644 0.82 HDAC1 (0.48) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL5536426 0.80 HDAC1 (0.49) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL5540245 0.80 HDAC1 (0.50) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL19399695 0.79 TAAR1 (0.56) HDAC1HDAC8TAAR1IDO1GAA
SCHEMBL18608715 0.79 TAAR1 (0.56) HDAC1HDAC8TAAR1IDO1GAA

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 HDAC1 322/4885HDAC8 993/4885TAAR1 364/4885

“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.