SCHEMBL5544196

SCHEMBL5544196

O=[C]OCCCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
SIGMAR1 Q99720 3/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CYP2A6 P11509 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TPSAB1 Q15661 1/20 0.40
NAAA Q02083 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
PDPK1 O15530 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39

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
SCHEMBL5543673 0.95 CYP1A2 (0.51) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL5546625 0.94 HDAC1 (0.51) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL5541617 0.94 HDAC1 (0.51) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL5535597 0.90 CYP1A2 (0.47) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL4625658 0.80 SIGMAR1 (0.58) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL6298407 0.80 SIGMAR1 (0.58) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL271243 0.79 RAB9A (0.50) CYP1A2CYP2A6
SCHEMBL96171 0.78 IDO1 (0.55) SIGMAR1HDAC1HDAC8
SCHEMBL30746339 0.78 SIGMAR1 (0.68) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL30418669 0.78 SIGMAR1 (0.68) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6

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 CYP1A2 659/4885SIGMAR1 234/4885HDAC1 322/4885

“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.