SCHEMBL5537129

SCHEMBL5537129

[CH2]CCN(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 2/20 0.41
DHFR P00374 2/20 0.39
PRMT6 Q96LA8 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL5546486 0.90 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2DHFRPRMT6
SCHEMBL5541889 0.89 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2DHFRPRMT6
SCHEMBL5542609 0.87 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2DHFRPRMT6
SCHEMBL2096766 0.86 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2DHFRALDH1A1
SCHEMBL5537171 0.83 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2DHFRHDAC3
SCHEMBL5541938 0.81 CETP (0.44) PRMT1
SCHEMBL2056228 0.80 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2DHFRKDM1A
SCHEMBL5545725 0.78 RPS6KA2 (0.45) ALDH1A1TSHR
SCHEMBL5539145 0.77 KIF11 (0.41) SLC6A4SLC6A3SLC6A2DHFRALDH1A1
SCHEMBL12294729 0.76 DHFR (0.43) SLC6A4SLC6A3SLC6A2DHFR

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 SLC6A4 4191/4885SLC6A3 1944/4885SLC6A2 3396/4885

“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.