SCHEMBL5544864

SCHEMBL5544864

[CH2]N1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
PRKDC P78527 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCD Q05655 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL5540094 0.86 MMP2 (0.35) SCN9AMMP2MMP3EGLN1TRPV1
SCHEMBL5535785 0.84 MMP2 (0.48) SCN9AMMP2MMP3PRKDCGALR1
SCHEMBL5544887 0.81 QDPR (0.57) ALDH1A1QDPR
SCHEMBL5547325 0.81 PPARG (0.42) SCN9AALDH1A1TSHRPPARGPPARA
SCHEMBL5542216 0.80 PPARG (0.47) ALDH1A1TSHRPPARGPPARA
SCHEMBL5541511 0.79 ALDH1A1 (0.38) L3MBTL1NISCHSCN5ASCN9AALDH1A1
SCHEMBL5546722 0.79 SIGMAR1 (0.47) ALDH1A1QDPR
SCHEMBL4949303 0.77 TRPV1 (0.45) L3MBTL1SCN9AALDH1A1TSHREGLN1
SCHEMBL5535410 0.76 SIGMAR1 (0.46) ALDH1A1PPARGPPARA
SCHEMBL8322832 0.76 LMNA (0.48) ALDH1A1

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 L3MBTL1 1931/4885NISCH 2425/4885SCN5A 3856/4885

“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.