SCHEMBL5541999

SCHEMBL5541999

CCCC1Cc2cc([O])ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
HRH4 Q9H3N8 1/20 0.40
AKR1B1 P15121 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
FYN P06241 1/20 0.32
TBXA2R P21731 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
SCHEMBL5548099 0.91 SIRT2 (0.40) HRH3HRH4SIRT2TDP1FFAR1
SCHEMBL5536723 0.89 SIRT2 (0.45) HRH3HRH4SIRT2
SCHEMBL5537744 0.88 SIRT2 (0.44) SIRT2
SCHEMBL5543451 0.87 AKR1B1 (0.37) AKR1B1SIRT2KDM4EFYN
SCHEMBL5536590 0.87 HRH3 (0.41) HRH3HRH4AKR1B1TDP1FFAR1
SCHEMBL5542006 0.81 SHBG (0.48) HRH3HRH4KDM4EFYN
SCHEMBL5546421 0.78 SIRT2 (0.38) SIRT2
SCHEMBL8454437 0.78 TDP1 (0.47) HRH3HRH4AKR1B1TDP1FFAR1
SCHEMBL5538983 0.77 SIRT2 (0.43) SIRT2
SCHEMBL13638405 0.76 HRH3 (0.47) HRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 HRH3 420/4885HRH4 426/4885AKR1B1 495/4885

“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.