SCHEMBL1493544

SCHEMBL1493544

FC(F)(F)Oc1ccccc1-n1nnnc1S

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.52
P2RX7 Q99572 2/20 0.45
SCN9A Q15858 2/20 0.42
HCAR1 Q9BXC0 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 1/20 0.36

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
SCHEMBL28460135 0.82 KCNN4 (0.52) KCNN4P2RX7SCN9AHCAR1ALDH1A1
SCHEMBL8653700 0.80 KCNN4 (0.60) KCNN4P2RX7ALDH1A1
SCHEMBL8758973 0.76 KCNN4 (0.49) KCNN4P2RX7SCN9AHCAR1ALDH1A1
SCHEMBL28188336 0.76 KCNN4 (0.47) KCNN4P2RX7SCN9AHCAR1ALDH1A1
SCHEMBL10711024 0.76 MAPK1 (0.56) KCNN4P2RX7ALDH1A1
Potassium SCHEMBL9513366 0.75 KCNN4 (0.48) KCNN4P2RX7SCN9AHCAR1ALDH1A1
SCHEMBL9513354 0.75 KCNN4 (0.48) KCNN4P2RX7SCN9AHCAR1ALDH1A1
SCHEMBL14112954 0.74 KCNN4 (0.54) KCNN4
SCHEMBL8679056 0.74 MAPK1 (0.43) KCNN4ALDH1A1
SCHEMBL9769964 0.72 KCNN4 (0.54) KCNN4ALDH1A1

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KCNN4 869/4885P2RX7 150/4885SCN9A 2185/4885

“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.