SCHEMBL5541911

SCHEMBL5541911

[CH2]CCc1ccc2scnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.36
FFAR1 O14842 1/20 0.36
HSD11B1 P28845 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 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
SCHEMBL5543230 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL5548138 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL5535561 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL5539650 0.86 NPC1 (0.45) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL3819546 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL6647512 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL27278065 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL27174608 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
Hydrochloric Acid SCHEMBL20562483 0.81 TDP1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1KDM4E
SCHEMBL6761642 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10FFAR1NPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459382-A Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC 2013-12-18 CN disclosed
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-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 467/4885TRPM5 3983/4885

“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.