SCHEMBL1493466

SCHEMBL1493466

CCOC(=O)CSc1nnnn1-c1cccc(C)c1C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MAPT P10636 2/20 0.72
HPGD P15428 1/20 0.72
USP2 O75604 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
HSD17B10 Q99714 3/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.52
ABCB1 P08183 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47

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 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTHPGDL3MBTL1
SCHEMBL859751 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTHPGDUSP2
SCHEMBL1611338 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDUSP2
SCHEMBL24019602 0.76 NPSR1 (0.63) ALDH1A1SMN1; SMN2MAPTHPGDUSP2
SCHEMBL24019600 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTHPGDUSP2
SCHEMBL1493487 0.75 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDL3MBTL1
SCHEMBL1611622 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2530971 0.74 KMT2A (0.58) ALDH1A1SMN1; SMN2MAPTHPGDUSP2
SCHEMBL1612283 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL1611894 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTHPGDUSP2

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 3233/4885SMN1; SMN2 4215/4885MAPT 1288/4885

“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.