SCHEMBL5545452

SCHEMBL5545452

[c]1ccc2nc(-c3cccs3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HPGD P15428 8/20 0.65
KDM4E B2RXH2 8/20 0.65
HSD17B10 Q99714 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
MAPT P10636 7/20 0.61
TP53 P04637 4/20 0.61
GAA P10253 3/20 0.61
GLA P06280 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KLK7 P49862 1/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48

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
SCHEMBL5542984 0.88 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2249384 0.79 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL28002399 0.78 ALDH1A1 (0.97) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL28601354 0.76 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5885447 0.74 NPC1 (0.62) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL16332241 0.74 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL316190 0.73 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL1391679 0.73 KDM4E (0.78) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5542508 0.73 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL12082222 0.73 RAB9A (0.69) ALDH1A1HPGDKDM4EHSD17B10SMN1; 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 6 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
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN 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 355/4885HPGD 3159/4885KDM4E 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.