SCHEMBL5542553

SCHEMBL5542553

Cc1ccc(C)c(CNC=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4C Q9H3R0 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5545625 0.85 KDM4E (0.50) NPC1RAB9AADH1BADH1CADH1A
SCHEMBL8763600 0.83 ADH1B (0.47) NPC1RAB9AADH1BADH1CADH1A
SCHEMBL18999606 0.81 ADH1B (0.37) NPC1RAB9AADH1BADH1CADH1A
SCHEMBL10565368 0.81 ADH1B (0.37) RAB9ATAAR1ADH1BADH1CADH1A
SCHEMBL10566150 0.81 HTR2A (0.40) NPC1RAB9AADH1BADH1CADH1A
SCHEMBL23997635 0.80 KDM4E (0.42) TAAR1ADH1BADH1CADH1AADH7
SCHEMBL21377286 0.80 ADH1B (0.36) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL22854882 0.78 HPGD (0.42) NPC1RAB9AADH1BADH1CADH1A
SCHEMBL26568731 0.78 P2RX7 (0.43) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL11780840 0.78 SLC6A2 (0.51) NPC1RAB9ATAAR1KDM4CPOLB

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 NPC1 2404/4885RAB9A 2824/4885TAAR1 364/4885

“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.