SCHEMBL1493509

SCHEMBL1493509

Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.85
NTRK2 Q16620 3/20 0.85
NFE2 Q16621 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALPL P05186 1/20 0.52
ALPG P10696 1/20 0.52

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
SCHEMBL1493588 0.92 NTRK1 (0.85) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493355 0.88 NTRK1 (0.78) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493342 0.86 NTRK1 (0.73) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493552 0.86 NTRK1 (0.75) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493561 0.84 NTRK1 (0.73) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493425 0.83 NTRK1 (0.72) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493403 0.82 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1LMNA
SCHEMBL1493451 0.82 NTRK1 (0.69) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1
SCHEMBL1493514 0.82 NTRK1 (0.69) NTRK1NTRK2NFE2ALDH1A1LMNA
SCHEMBL1493585 0.81 NTRK1 (0.68) NTRK1NTRK2NFE2SMN1; SMN2ALDH1A1

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.