SCHEMBL5543984

SCHEMBL5543984

O=[C]CN1CCN(C(=O)Nc2cc(OC(F)(F)F)cc(OC(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.50
▸ ACHE P22303 1/20 0.48
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ S1PR2 O95136 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FAAH O00519 3/20 0.40

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
SCHEMBL5542661 0.80 MGLL (0.47) ALDH1A1LMNASMN1; SMN2
SCHEMBL5535035 0.76 ACHE (0.66) EPHX2ACHEPOLBCYP2C9CYP2C19
SCHEMBL5539086 0.75 MGLL (0.48) ACHEALDH1A1
SCHEMBL5544861 0.73 FAAH (0.67) FAAH
SCHEMBL5534687 0.73 KMT2A (0.72) EPHX2POLBALDH1A1LMNASMN1; SMN2
SCHEMBL7532176 0.72 EPHX2 (0.70) EPHX2ACHEPOLBCYP2C9CYP2C19
SCHEMBL5535039 0.69 ACHE (0.66) EPHX2ACHEPOLBCYP2C9CYP2C19
SCHEMBL12655774 0.69 ACHE (0.75) EPHX2ACHEFAAH
SCHEMBL4558228 0.68 EPHX2 (0.91) EPHX2ACHEPOLBCYP2C9CYP2C19
SCHEMBL27645234 0.67 EPHX2 (0.50) EPHX2TRPV1ALDH1A1LMNASMN1; SMN2

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 EPHX2 3662/4885ACHE 4670/4885POLB 1637/4885

“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.

Send feedback