SCHEMBL1228844

SCHEMBL1228844

CC(C)(C)[Si](C)(C)OCC(CI)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
SCN10A Q9Y5Y9 7/20 0.33
KCNH2 Q12809 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN5A Q14524 2/20 0.33
SCN1A P35498 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
MCHR1 Q99705 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL1228985 0.87 CASR (0.40) CASRL3MBTL1ALDH1A1MAOBAOC3
SCHEMBL1227109 0.85 APP (0.37)
SCHEMBL1227412 0.78 CHRNB2 (0.34)
SCHEMBL1227142 0.76
SCHEMBL12901288 0.76 CASR (0.38) CASRL3MBTL1SCN10AALDH1A1MAOB
SCHEMBL1228930 0.73 APP (0.38)
SCHEMBL1227410 0.72 KCNH2 (0.44) KCNH2ALDH1A1MCHR1
SCHEMBL1227291 0.70 MAOB (0.43) L3MBTL1SCN10AALDH1A1MAOBAOC3
SCHEMBL1228837 0.69 CHRNB2 (0.36)
SCHEMBL13676825 0.68 CCR6 (0.47) CASRL3MBTL1SCN10AALDH1A1MAOB

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-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
EP-2459570-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
WO-2011014776-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 CASR 4355/4885L3MBTL1 2205/4885SCN10A 4221/4885

“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.