SCHEMBL1493451

SCHEMBL1493451

Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.69
NTRK2 Q16620 4/20 0.69
NFE2 Q16621 1/20 0.65
LMNA P02545 3/20 0.64
ALDH1A1 P00352 6/20 0.63
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HTT P42858 1/20 0.58
CYP3A4 P08684 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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 0.93 NTRK1 (0.69) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493291 0.92 NTRK1 (0.67) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493588 0.90 NTRK1 (0.85) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493355 0.90 NTRK1 (0.78) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493514 0.89 NTRK1 (0.69) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493342 0.88 NTRK1 (0.73) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493496 0.88 LMNA (0.70) NTRK1NTRK2LMNAALDH1A1USP2
SCHEMBL1493606 0.87 NTRK1 (0.64) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493450 0.86 ALDH1A1 (0.66) NTRK1NTRK2NFE2LMNAALDH1A1
SCHEMBL1493384 0.86 NTRK1 (0.67) NTRK1NTRK2NFE2LMNAALDH1A1

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.