SCHEMBL5543673

SCHEMBL5543673

O=[C]OCCCCc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
SIGMAR1 Q99720 3/20 0.49
HCAR2 Q8TDS4 1/20 0.42
CYP2A6 P11509 1/20 0.42
NAAA Q02083 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL5541617 0.98 HDAC1 (0.51) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL5546625 0.98 HDAC1 (0.51) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL5544196 0.95 CYP1A2 (0.53) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL5535597 0.88 CYP1A2 (0.47) CYP1A2HDAC1HDAC8SIGMAR1CYP2A6
SCHEMBL19119318 0.83 KDM4E (0.44) CYP1A2HDAC1HDAC8SIGMAR1CYSLTR1
SCHEMBL30418669 0.80 SIGMAR1 (0.68) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL8957574 0.80 SIGMAR1 (0.54) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL2516 0.79 IDO1 (0.48) HDAC1HDAC8SIGMAR1NAAAHDAC3
SCHEMBL30418043 0.78 SIGMAR1 (0.66) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL2093292 0.78 SIGMAR1 (0.57) CYP1A2HDAC1HDAC8SIGMAR1HCAR2

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-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN 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 CYP1A2 659/4885HDAC1 322/4885HDAC8 993/4885

“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.