SCHEMBL5541534

SCHEMBL5541534

[CH2]c1cocc1-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
RAB9A P51151 5/20 0.33
TP53 P04637 4/20 0.33
NPC1 O15118 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PBRM1 Q86U86 1/20 0.32
IDO1 P14902 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
SCHEMBL5541540 0.75 ALDH1A1 (0.44) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL2090819 0.75 ALDH1A1 (0.50) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL5545828 0.75 ALDH1A1 (0.38) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL31295703 0.74 ALDH1A1 (0.67) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL358976 0.74 ALDH1A1 (0.67) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL31465796 0.71 ALDH1A1 (0.63) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL7519287 0.71 ALDH1A1 (0.63) MAPK1ALDH1A1MAOBMAOARAB9A
Bromide SCHEMBL6343983 0.69 ALDH1A1 (0.60) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL5536953 0.67 RAB9A (0.40) ALDH1A1MAOBMAOARAB9ATP53
SCHEMBL23232525 0.65 SLC6A3 (0.48) ALDH1A1MAPTSMN1; SMN2TSHRHDAC1

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 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 MAPK1 1392/4885ALDH1A1 355/4885MAOB 2140/4885

“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.