SCHEMBL5545700

SCHEMBL5545700

[CH2]c1nc(CCCCCC)co1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
GPR84 Q9NQS5 4/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 3/20 0.33

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
SCHEMBL5537302 0.98 KCNH2 (0.46) KCNH2GPR84PPARA
SCHEMBL5536231 0.92 KCNH2 (0.38) KCNH2
SCHEMBL5541446 0.84
SCHEMBL5545704 0.79 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL5545607 0.79 KCNH2 (0.46) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL9728832 0.78 KCNH2 (0.48) KCNH2ALDH1A1HPGD
SCHEMBL5540621 0.77 KCNH2 (0.44) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL18857408 0.77 KCNH2 (0.44) KCNH2PPARA
SCHEMBL5537310 0.77 KCNH2 (0.47) KCNH2PPARA
SCHEMBL2867677 0.77 KCNH2 (0.47) KCNH2PPARAALDH1A1

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 KCNH2 3503/4885GPR84 318/4885PPARA 429/4885

“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.