SCHEMBL1493546

SCHEMBL1493546

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2cccs2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 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
SCHEMBL1493383 0.88 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1493542 0.88 ALDH1A1 (0.58) ALDH1A1TSHRLMNANPSR1HPGD
SCHEMBL1610585 0.87 ALDH1A1 (0.52) ALDH1A1TSHRLMNANPSR1HPGD
SCHEMBL1493286 0.87 ALDH1A1 (0.52) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1493338 0.87 ALDH1A1 (0.47) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1611338 0.87 ALDH1A1 (0.53) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1612063 0.86 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1493526 0.86 ALDH1A1 (0.49) ALDH1A1TSHRLMNANPSR1HPGD
SCHEMBL1611938 0.85 ALDH1A1 (0.48) ALDH1A1LMNANPSR1HPGDSMN1; SMN2
SCHEMBL1612550 0.85 ALDH1A1 (0.53) ALDH1A1LMNANPSR1HPGDSMN1; SMN2

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 3233/4885TSHR 44/4885LMNA 4145/4885

“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.