SCHEMBL1493487

SCHEMBL1493487

Cc1ccccc1-n1nnnc1SCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.79
POLB P06746 2/20 0.68
MAPK1 P28482 1/20 0.68
ABCB1 P08183 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 5/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57

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
SCHEMBL1493401 0.90 ALDH1A1 (0.64) ALDH1A1POLBMAPK1ABCB1L3MBTL1
SCHEMBL1611509 0.85 ALDH1A1 (0.69) ALDH1A1POLBMAPK1ABCB1SMN1; SMN2
SCHEMBL10677266 0.85 ALDH1A1 (0.71) ALDH1A1MAPK1ABCB1L3MBTL1LMNA
SCHEMBL1611721 0.84 LMNA (0.76) ALDH1A1POLBMAPK1LMNAHTT
SCHEMBL1493311 0.84 ALDH1A1 (0.76) ALDH1A1POLBMAPK1LMNAHTT
SCHEMBL1493472 0.84 POLB (0.68) ALDH1A1POLBMAPK1LMNAKMT2A
SCHEMBL1493435 0.84 ALDH1A1 (0.79) ALDH1A1POLBMAPK1ABCB1L3MBTL1
SCHEMBL1493362 0.83 MAPK1 (0.78) ALDH1A1POLBMAPK1L3MBTL1KMT2A
SCHEMBL14605812 0.82 ALDH1A1 (0.67) ALDH1A1POLBMAPK1ABCB1L3MBTL1
SCHEMBL859415 0.82 ALDH1A1 (0.74) ALDH1A1POLBMAPK1LMNAHTT

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 3233/4885POLB 4782/4885MAPK1 3086/4885

“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.