SCHEMBL507598

SCHEMBL507598

FC(F)(F)Oc1ccc(-c2ncc(CBr)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
SCN10A Q9Y5Y9 12/20 0.41
SCN5A Q14524 4/20 0.40
SCN1A P35498 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL27875524 0.88 KCNH2 (0.40) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL31375506 0.87 KCNH2 (0.36) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL9062115 0.85 RXRA (0.48) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL9062321 0.84 RXRA (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL508392 0.84 KCNH2 (0.42) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL19514109 0.84 SCN10A (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL30430478 0.83 SCN5A (0.43) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL508451 0.81 SCN10A (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL5347935 0.81 CHRNA7 (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL9060808 0.80 CHRNA7 (0.46) KCNH2SCN10ASCN5ASCN1ASCN9A

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 4 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-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 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
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO 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 KCNH2 3157/4885SCN10A 4460/4885SCN5A 2134/4885

“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.