SCHEMBL1493429

SCHEMBL1493429

Fc1cccc(F)c1-n1nnnc1S

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 14/20 0.37
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1493431 0.83 KCNN4 (0.30) KCNN4
SCHEMBL14112954 0.79 KCNN4 (0.54) KCNN4
SCHEMBL1493508 0.78 KCNN4 (0.44) KCNN4ALDH1A1TSHR
SCHEMBL1493409 0.77 ALDH1A1 (0.56) KCNN4ALDH1A1MAPTTSHRNPSR1
SCHEMBL1493541 0.77 ALDH1A1 (0.37) KCNN4P2RX7ALDH1A1TSHR
SCHEMBL1610810 0.73 KCNN4 (0.40) KCNN4ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL1493427 0.73 POLB (0.47) ALDH1A1SMN1; SMN2POLBMAPTNPSR1
SCHEMBL1493415 0.73 TSHR (0.52) ALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL1612399 0.71 P2RX7 (0.44) KCNN4P2RX7ALDH1A1
SCHEMBL8048128 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBMAPTTSHR

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 150/4885ALDH1A1 3233/4885

“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.