SCHEMBL5534907

SCHEMBL5534907

Cc1scc2c(OC(F)(F)F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
MPL P40238 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD11B1 P28845 1/20 0.33
GRM5 P41594 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31
S1PR1 P21453 1/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL5534900 0.81 MPL (0.40) SCN9AMPLKDM4EEPHX2CYP2C9
SCHEMBL5537373 0.78 CA2 (0.41) KDM4ECYP3A4ALDH1A1HSD17B10
SCHEMBL5546048 0.77 SLC1A5 (0.32) SCN9A
SCHEMBL5546631 0.75 SCN9A (0.40) SCN9AMPLKDM4EHSD11B1GRM5
SCHEMBL5544215 0.75 SCN9A (0.46) SCN9AMPLHSD11B1GRM5CYP2C9
SCHEMBL16707610 0.71 HSD11B1 (0.41) SCN9AMPLKDM4EHSD11B1ALDH1A1
SCHEMBL5542435 0.70 KDM4E (0.35) SCN9AMPLKDM4EHSD11B1EPHX2
SCHEMBL3120591 0.70 KDM4E (0.53) KDM4EEPHX2ALDH1A1HSD17B10
SCHEMBL2093525 0.70 ACHE (0.36) GRM5ALDH1A1
SCHEMBL8404419 0.69 CYP1A2 (0.55) CYP3A4TRPA1ALDH1A1HSD17B10

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 SCN9A 3612/4885MPL 4578/4885KDM4E 4854/4885

“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.