SCHEMBL1493563

SCHEMBL1493563

CCOc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
ALDH1A1 P00352 7/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 4/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 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
SCHEMBL1612346 0.95 TP53 (0.47) TP53ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL1611309 0.95 TSHR (0.48) TP53ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL1611820 0.93 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL1493554 0.92 ALDH1A1 (0.52) TP53ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL1611670 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL1612063 0.91 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTSMN1; SMN2NTRK1
SCHEMBL1612883 0.91 ALDH1A1 (0.45) TP53ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL1493526 0.90 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL1610585 0.90 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL1493492 0.90 MAPT (0.48) TP53ALDH1A1CYP3A4CYP2C19MAPT

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 4 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
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 TP53 4867/4885ALDH1A1 3233/4885CYP3A4 1167/4885

“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.