SCHEMBL5535977

SCHEMBL5535977

Cc1csc2cccc(OC(F)(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.40
MPL P40238 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.35
S1PR1 P21453 2/20 0.33
GRM5 P41594 1/20 0.33
HSD11B1 P28845 1/20 0.33
F2RL3 Q96RI0 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRIA1 P42261 2/20 0.31
CACNG8 Q8WXS5 2/20 0.31
CACNG2 Q9Y698 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
SCHEMBL5546627 0.80 MPL (0.38) SCN9AMPLF2RL3CYP2C9CYP3A4
SCHEMBL5273487 0.79 PRF1 (0.42) CYP3A4
SCHEMBL5541668 0.75 MEN1 (0.44) MRGPRX1
SCHEMBL17139919 0.74 MEN1 (0.36) MPLHSD11B1
SCHEMBL5546631 0.73 SCN9A (0.40) SCN9AMPLMRGPRX1S1PR1GRM5
SCHEMBL5544215 0.73 SCN9A (0.46) SCN9AMPLS1PR1GRM5HSD11B1
SCHEMBL3455960 0.73 KCNH2 (0.36)
SCHEMBL5535772 0.72 SCN9A (0.34) SCN9AMPLHSD11B1F2RL3GRIA1
SCHEMBL8404359 0.72 CTSG (0.37)
SCHEMBL23465150 0.72 S1PR1 (0.39) SCN9AMPLS1PR1HSD11B1CYP3A4

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 4578/4885MRGPRX1 3098/4885

“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.