SCHEMBL1493473

SCHEMBL1493473

Sc1nnnn1-c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
KCNN4 O15554 13/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30153659 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRKCNN4LMNA
SCHEMBL28896027 0.76 KCNN4 (0.46) ALDH1A1NPSR1TSHRKCNN4MGLL
SCHEMBL3294567 0.75 KCNN4 (0.45) ALDH1A1TSHRKCNN4LMNAL3MBTL1
SCHEMBL2210006 0.75 KCNMA1 (0.50) ALDH1A1TSHRKCNN4LMNAHSD17B10
SCHEMBL3295145 0.75 KCNN4 (0.51) ALDH1A1TSHRKCNN4L3MBTL1
SCHEMBL14112954 0.75 KCNN4 (0.54) KCNN4
SCHEMBL11638648 0.75 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRKCNN4LMNA
SCHEMBL6321042 0.75 KCNN4 (0.44) ALDH1A1TSHRKCNN4MGLLLMNA
SCHEMBL55213 0.74 ALDH1A1 (0.53) ALDH1A1NPSR1TSHRLMNAL3MBTL1
SCHEMBL6929976 0.73 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1

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 3233/4885NPSR1 9/4885TSHR 44/4885

“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.