SCHEMBL5548138

SCHEMBL5548138

[CH2]CCCCc1ccc2scnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
FFAR1 O14842 1/20 0.34
HSD11B1 P28845 1/20 0.33
QPCT Q16769 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
IGF1R P08069 1/20 0.32
ALOX15 P16050 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL5535561 0.98 ALDH1A1 (0.38) ALDH1A1HSD17B10KEAP1NFE2L2TRPM5
SCHEMBL5543230 0.95 ALDH1A1 (0.40) ALDH1A1HSD17B10KEAP1NFE2L2TRPM5
SCHEMBL5541911 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10KEAP1NFE2L2TRPM5
SCHEMBL5542288 0.87 NPC1 (0.41) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL5543747 0.86 NPC1 (0.41) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL27610684 0.84 CLK1 (0.42) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL10990373 0.83 CLK1 (0.43) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL9507208 0.82 SKP2 (0.41) ALDH1A1HSD17B10TRPM5FFAR1NPC1
SCHEMBL5534699 0.82 NPC1 (0.42) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL3819546 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10KEAP1NFE2L2TRPM5

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 355/4885HSD17B10 467/4885KEAP1 1764/4885

“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.