SCHEMBL5546314

SCHEMBL5546314

[CH2]CCC=CNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.37
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADRB2 P07550 1/20 0.33
CTSD P07339 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL5546312 1.00 KMT2A (0.42) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5541179 0.88 KMT2A (0.40) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5541182 0.88 KMT2A (0.40) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5548453 0.83 ALDH1A1 (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5548450 0.83 ALDH1A1 (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22694030 0.82 KMT2A (0.41) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5540897 0.80 KDM4E (0.31) KDM4ECYP1A2CYP2D6
SCHEMBL5540899 0.80 KDM4E (0.31) KDM4ECYP1A2CYP2D6
SCHEMBL9603838 0.79 KDM4E (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23450556 0.78 ALDH1A1 (0.50) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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 KMT2A 4267/4885ALDH1A1 355/4885NPC1 2404/4885

“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.