SCHEMBL508904

SCHEMBL508904

CC(C)[Si](OC[C@H](CO)Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.38
SCN9A Q15858 5/20 0.37
AHR P35869 1/20 0.36
MMP2 P08253 5/20 0.35
MMP9 P14780 4/20 0.35
MMP1 P03956 3/20 0.35
MMP3 P08254 2/20 0.35
KIF11 P52732 1/20 0.35
MMP8 P22894 1/20 0.34
PTPN5 P54829 1/20 0.34
SCN5A Q14524 1/20 0.34
FPR2 P25090 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL508403 0.87 SCN10A (0.38) TRPV3SCN10ASCN9AKIF11SCN5A
SCHEMBL507788 0.80 SCN10A (0.48) SCN10ASCN9ASCN5A
SCHEMBL1547544 0.77 MAPT (0.47) MMP2MMP9MMP1
SCHEMBL10873792 0.74 HRH3 (0.43)
SCHEMBL507756 0.72 KCNH2 (0.39) SCN10AMMP2MMP9MMP1MMP3
SCHEMBL16281815 0.67 PDE2A (0.45)
SCHEMBL14603436 0.65 PDE2A (0.46) KIF11
SCHEMBL7608131 0.65 MAOB (0.43) SCN10ASCN9AMMP2MMP9MMP1
SCHEMBL13111204 0.65 PDE2A (0.49) KIF11PTPN5
SCHEMBL12591831 0.64 ALDH1A1 (0.59) SCN10AKIF11PTPN5SCN5AAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 TRPV3 2678/4885SCN10A 4460/4885SCN9A 4777/4885

“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.