SCHEMBL5543828

SCHEMBL5543828

[O]CCCCCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
TBXAS1 P24557 7/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP2A6 P11509 1/20 0.61
CHRNA7 P36544 2/20 0.55
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CHRM2 P08172 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5545812 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL5541004 0.98 TDP1 (0.67) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL294519 0.92 CYP2A6 (0.66) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485634 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485667 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL2845851 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL725483 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL8658187 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL3048356 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485675 0.88 TDP1 (0.80) HRH1TBXAS1TDP1L3MBTL1CYP2A6

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 HRH1 668/4885TBXAS1 2580/4885TDP1 4666/4885

“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.