SCHEMBL5534733

SCHEMBL5534733

[CH2]c1ccccc1NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA1B Q00975 2/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CHRM2 P08172 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5538885 0.84 HSD17B10 (0.59) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5540800 0.84 CCNE2 (0.40) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5539503 0.81 MAPT (0.55) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5546124 0.81 KDM4E (0.44) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5544675 0.81 MAPT (0.44) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5542578 0.81 HTT (0.52) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL17605132 0.81 MAOB (0.55) KCNH3MAPTKDM4EALDH1A1MEN1
SCHEMBL5542641 0.81 EPHX2 (0.47) MAPTKDM4EALDH1A1MEN1THRB
SCHEMBL5536813 0.81 APP (0.46) KDM4EMAOBMPO
SCHEMBL5535937 0.81 KDM1A (0.42) MAPTKDM4EALDH1A1MEN1THRB

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 KCNH3 3170/4885MAPT 4117/4885KDM4E 4854/4885

“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.