SCHEMBL5536714

SCHEMBL5536714

FC(F)(F)c1ccccc1CCCNc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
CNR1 P21554 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
DAO P14920 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 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
SCHEMBL5542407 0.91 CNR1 (0.46) HDAC1HDAC8CNR1LIPGIDO1
SCHEMBL5544585 0.88 ALDH1A1 (0.37) HDAC1HDAC8CNR1LIPGALDH1A1
SCHEMBL5545152 0.83 HDAC3 (0.45) HDAC1IDO1ALDH1A1MAPTSCN8A
SCHEMBL5539839 0.80 MPO (0.49) CNR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5542055 0.79 CNR1 (0.36) CNR1ALDH1A1MAPTL3MBTL1
SCHEMBL5540283 0.78 DRD2 (0.38) HDAC1ALDH1A1MAPTSLC22A12MEN1
SCHEMBL5539997 0.78 TAAR1 (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5548214 0.78 ALDH1A1 (0.41) HDAC1HDAC8ALDH1A1MAPTPOLB
SCHEMBL5546495 0.78 TAAR1 (0.46) CNR1IDO1ALDH1A1MAPT
SCHEMBL5537697 0.78 TAAR1 (0.46) HDAC1HDAC8IDO1ALDH1A1MAPT

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 993/4885CNR1 857/4885

“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.