SCHEMBL1493588

SCHEMBL1493588

Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.85
NTRK2 Q16620 4/20 0.85
NFE2 Q16621 1/20 0.74
ALDH1A1 P00352 5/20 0.68
TSHR P16473 2/20 0.65
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.62
USP2 O75604 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
THRB P10828 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 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
SCHEMBL1493355 0.96 NTRK1 (0.78) NTRK1NTRK2NFE2ALDH1A1HTT
SCHEMBL1493561 0.92 NTRK1 (0.73) NTRK1NTRK2NFE2ALDH1A1HTT
SCHEMBL1493342 0.92 NTRK1 (0.73) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493509 0.92 NTRK1 (0.85) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493425 0.91 NTRK1 (0.72) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493514 0.90 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493451 0.90 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493403 0.90 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1TSHR
SCHEMBL1493585 0.89 NTRK1 (0.68) NTRK1NTRK2NFE2ALDH1A1HTT
SCHEMBL1493291 0.88 NTRK1 (0.67) NTRK1NTRK2NFE2ALDH1A1HTT

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 6 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
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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 NTRK1 731/4885NTRK2 331/4885NFE2 3363/4885

“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.