SCHEMBL1493387

SCHEMBL1493387

Cc1ccc(F)c(-n2nnnc2S)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
TP53 P04637 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KCNN4 O15554 9/20 0.38
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.34
HSP90AA1 P07900 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL1493447 0.87 L3MBTL1 (0.39) ALDH1A1LMNAHTTTP53GAA
SCHEMBL1493503 0.83 ALDH1A1 (0.54) ALDH1A1LMNAHTTTP53GAA
SCHEMBL15337360 0.83 NOTUM (0.43) ALDH1A1LMNAHTTTP53GAA
SCHEMBL5592603 0.80 LMNA (0.48) ALDH1A1LMNAHTTTP53GAA
SCHEMBL14112954 0.76 KCNN4 (0.54) KCNN4
SCHEMBL15786408 0.76 MAPT (0.38) ALDH1A1LMNAHTTTP53GAA
SCHEMBL1493507 0.75 KCNN4 (0.33) L3MBTL1KCNN4
SCHEMBL1493432 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHTTTP53GAA
SCHEMBL1493508 0.74 KCNN4 (0.44) ALDH1A1TSHRKCNN4
SCHEMBL1493411 0.73 NPC1 (0.46) ALDH1A1HTTL3MBTL1KCNN4MAPT

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 ALDH1A1 3233/4885LMNA 4145/4885HTT 616/4885

“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.