SCHEMBL5543390

SCHEMBL5543390

[CH2]c1cccc(-c2ccc(N(C)C)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNPLA2 Q96AD5 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AOC3 Q16853 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 1/20 0.40

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
SCHEMBL19698856 0.85 PNPLA2 (0.56) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL14065149 0.81 PNPLA2 (0.53) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL29520575 0.81 PNPLA2 (0.53) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL27775798 0.80 HSD17B1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL17775059 0.79 PNPLA2 (0.51) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL5540540 0.78 ALDH1A1 (0.58) HDAC6MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5543395 0.78 MEN1 (0.55) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL2094577 0.77 PTPN5 (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19698858 0.76 ALDH1A1 (0.54) PNPLA2HDAC6MAPTSMN1; SMN2AOC3
SCHEMBL28668 0.76 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1HSD17B10TSHR

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 PNPLA2 4762/4885HDAC6 941/4885MAPT 4117/4885

“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.