SCHEMBL5539445

SCHEMBL5539445

C=CCCCCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.49
SLC6A4 P31645 2/20 0.49
MGLL Q99685 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
EP300 Q09472 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT5 Q92993 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
IAPP P10997 1/20 0.47
HSPA5 P11021 1/20 0.45
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL10863239 0.98 MGLL (0.51) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL10719846 0.98 MGLL (0.51) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL11373976 0.98 MGLL (0.51) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL647126 0.98 MGLL (0.51) MPOSLC6A4MGLLTAAR1EP300
Ammonia Solution, Strong SCHEMBL29482611 0.96 MGLL (0.50) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL5538659 0.94 MPO (0.50) MPOSLC6A4MGLLTAAR1EP300
Oxirane SCHEMBL10719749 0.90 MGLL (0.45) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL5543573 0.86 TAAR1 (0.54) MPOSLC6A4TAAR1HSPA5ACHE
SCHEMBL19431545 0.85 IAPP (0.46) MPOSLC6A4MGLLTAAR1EP300
SCHEMBL14562493 0.83 EP300 (0.69) MPOSLC6A4MGLLTAAR1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 MPO 3167/4885SLC6A4 4191/4885MGLL 4717/4885

“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.