SCHEMBL5541738

SCHEMBL5541738

[CH2]c1ccc(-c2ccc(Br)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 3/20 0.48
PRNP P04156 1/20 0.48
TSHR P16473 4/20 0.48
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAOB P27338 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NQO2 P16083 1/20 0.41
GAA P10253 2/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL5963207 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5539593 0.77 KDM4E (0.52) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL2319849 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5536007 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL5539531 0.76 CYP2E1 (0.48) ALDH1A1HPGDHSD17B10LMNATSHR
SCHEMBL5546617 0.75 MAOB (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL12230557 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL15850546 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL12230556 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5541749 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 11 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 355/4885KDM4E 4854/4885HPGD 3159/4885

“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.