SCHEMBL5545973

SCHEMBL5545973

[CH2]CCC(C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
MAOB P27338 1/20 0.41
FAAH O00519 1/20 0.40
FFAR1 O14842 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 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
SCHEMBL27629422 0.85 PTGS1 (0.55) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL5544471 0.85 LTA4H (0.44)
SCHEMBL11533047 0.84 PTGS1 (0.58) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10624229 0.83 PTGS1 (0.53) PTGS1MEN1CYP2D6KMT2AALOX5
Hydrochloric Acid SCHEMBL11536745 0.83 PTGS1 (0.53) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11996670 0.81 PTGS1 (0.58) PTGS1MEN1CYP2D6KMT2AALOX5
Hydrochloric Acid SCHEMBL11533687 0.80 SLC6A4 (0.51) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL20078273 0.80 PTGS1 (0.50) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11534196 0.80 TAAR1 (0.60) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL4048471 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5

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 PTGS1 3838/4885MEN1 3295/4885CYP2D6 728/4885

“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.