SCHEMBL1493585

SCHEMBL1493585

Cc1cc(NC(=O)CSc2nnnn2-c2cccc(F)c2)n(-c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.68
NTRK2 Q16620 3/20 0.68
NFE2 Q16621 1/20 0.66
ALDH1A1 P00352 4/20 0.63
POLB P06746 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 3/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL1493561 0.93 NTRK1 (0.73) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493355 0.92 NTRK1 (0.78) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493342 0.91 NTRK1 (0.73) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493588 0.89 NTRK1 (0.85) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493425 0.88 NTRK1 (0.72) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493384 0.87 NTRK1 (0.67) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493291 0.85 NTRK1 (0.67) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493606 0.84 NTRK1 (0.64) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493514 0.83 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1POLB
SCHEMBL1493403 0.83 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1POLB

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 6 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 claimed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO claimed
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 NTRK1 731/4885NTRK2 331/4885NFE2 3363/4885

“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.