SCHEMBL5542898

SCHEMBL5542898

CN(C=O)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TAAR1 Q96RJ0 3/20 0.48
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.41
ACHE P22303 4/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
TSPO P30536 1/20 0.38

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
SCHEMBL4310308 0.78 MAPT (0.46) ALDH1A1KDM4ETAAR1MEN1KMT2A
SCHEMBL12074134 0.77 TAAR1 (0.63) ALDH1A1KDM4ETAAR1RIPK1AOC3
SCHEMBL20341642 0.77 AOC3 (0.46) ALDH1A1KDM4ETAAR1RIPK1AOC3
SCHEMBL5542029 0.77 PYCR1 (0.51) ALDH1A1TAAR1AOC3MEN1KMT2A
SCHEMBL5537003 0.77 TSHR (0.53) ALDH1A1TAAR1RIPK1KMT2AHTT
SCHEMBL8957816 0.75 PYCR1 (0.55) ALDH1A1RIPK1
SCHEMBL6050456 0.74 CYP2D6 (0.65) ALDH1A1MEN1KMT2AATMACHE
SCHEMBL18884417 0.74 AOC3 (0.66) ALDH1A1KDM4ETAAR1RIPK1AOC3
SCHEMBL21113553 0.74 TAAR1 (0.53) ALDH1A1KDM4ETAAR1RIPK1AOC3
SCHEMBL27390411 0.74 TAAR1 (0.53) ALDH1A1KDM4ETAAR1RIPK1AOC3

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 355/4885KDM4E 4854/4885TAAR1 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.