SCHEMBL1493450

SCHEMBL1493450

Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2C)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
NTRK1 P04629 2/20 0.62
NTRK2 Q16620 2/20 0.62
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 5/20 0.57
USP2 O75604 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 2/20 0.54
NFE2 Q16621 1/20 0.54
MAPT P10636 1/20 0.53
TP53 P04637 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
SCHEMBL1493403 0.92 NTRK1 (0.69) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493514 0.92 NTRK1 (0.69) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493291 0.89 NTRK1 (0.67) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493451 0.86 NTRK1 (0.69) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493496 0.83 LMNA (0.70) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493606 0.83 NTRK1 (0.64) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493342 0.81 NTRK1 (0.73) ALDH1A1NTRK1NTRK2LMNANPSR1
SCHEMBL1493588 0.81 NTRK1 (0.85) ALDH1A1NTRK1NTRK2LMNAUSP2
SCHEMBL1612575 0.81 ALDH1A1 (0.64) ALDH1A1NTRK1NTRK2KMT2AMEN1
SCHEMBL1493355 0.80 NTRK1 (0.78) ALDH1A1NTRK1NTRK2LMNANPSR1

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 ALDH1A1 3233/4885NTRK1 731/4885NTRK2 331/4885

“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.