SCHEMBL5544585

SCHEMBL5544585

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LIPG Q9Y5X9 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CNR1 P21554 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5542055 0.91 CNR1 (0.36) ALDH1A1MAPTCNR1L3MBTL1
SCHEMBL5536714 0.88 HDAC1 (0.43) ALDH1A1MAPTLIPGHDAC1HDAC8
SCHEMBL5537594 0.84 MAPT (0.38) ALDH1A1MAPTHDAC1L3MBTL1
SCHEMBL5542407 0.79 CNR1 (0.46) ALDH1A1MAPTLIPGHDAC1HDAC8
SCHEMBL5539839 0.77 MPO (0.49) ALDH1A1MAPTCNR1L3MBTL1
SCHEMBL5535825 0.77 MAPT (0.34) ALDH1A1MAPT
SCHEMBL5540283 0.76 DRD2 (0.38) ALDH1A1MAPTHDAC1
SCHEMBL5539997 0.76 TAAR1 (0.42) ALDH1A1MAPTL3MBTL1
SCHEMBL5546495 0.76 TAAR1 (0.46) ALDH1A1MAPTCNR1
SCHEMBL5548214 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHDAC1HDAC8L3MBTL1

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 ALDH1A1 355/4885MAPT 4117/4885LIPG 4880/4885

“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.