SCHEMBL1493401

SCHEMBL1493401

Cc1cccc(-n2nnnc2SCC(=O)O)c1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
MAPK1 P28482 1/20 0.62
POLB P06746 2/20 0.61
ABCB1 P08183 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1493487 0.90 ALDH1A1 (0.79) ALDH1A1MAPK1POLBABCB1SMN1; SMN2
SCHEMBL1493466 0.85 ALDH1A1 (0.72) ALDH1A1MAPK1POLBABCB1SMN1; SMN2
SCHEMBL1611509 0.85 ALDH1A1 (0.69) ALDH1A1MAPK1POLBABCB1SMN1; SMN2
SCHEMBL1611340 0.80 POLB (0.59) ALDH1A1MAPK1POLBABCB1SMN1; SMN2
SCHEMBL859415 0.80 ALDH1A1 (0.74) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL1493311 0.80 ALDH1A1 (0.76) ALDH1A1MAPK1POLBSMN1; SMN2HPGD
SCHEMBL1611721 0.80 LMNA (0.76) ALDH1A1MAPK1POLBSMN1; SMN2HSD17B10
SCHEMBL1493472 0.79 POLB (0.68) ALDH1A1MAPK1POLBMAPTHPGD
SCHEMBL1493435 0.79 ALDH1A1 (0.79) ALDH1A1MAPK1POLBABCB1SMN1; SMN2
SCHEMBL1493362 0.79 MAPK1 (0.78) ALDH1A1MAPK1POLBMAPTHSD17B10

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 3233/4885MAPK1 3086/4885POLB 4782/4885

“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.