SCHEMBL1493497

SCHEMBL1493497

COc1ccc(-n2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL1612863 0.87 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1493373 0.87 NPSR1 (0.55) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1611457 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL1611622 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1611034 0.85 KMT2A (0.56) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1610113 0.85 NPSR1 (0.52) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL1493343 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1611894 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1493410 0.84 CYP3A4 (0.53) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL1612310 0.84 NPSR1 (0.51) ALDH1A1MAPTKMT2ANPSR1LMNA

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 ALDH1A1 3233/4885MAPT 1288/4885KMT2A 1510/4885

“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.