SCHEMBL1493373

SCHEMBL1493373

Cc1ccc(-n2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NTRK1 P04629 3/20 0.54
NTRK2 Q16620 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
NFE2 Q16621 1/20 0.49
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1611622 0.94 ALDH1A1 (0.56) NPSR1SMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL1611034 0.93 KMT2A (0.56) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1610113 0.93 NPSR1 (0.52) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1612310 0.91 NPSR1 (0.51) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1493410 0.90 CYP3A4 (0.53) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1493481 0.89 NPSR1 (0.49) NPSR1SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL1611435 0.88 NPSR1 (0.49) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1611457 0.87 ALDH1A1 (0.60) SMN1; SMN2NTRK1NTRK2LMNAALDH1A1
SCHEMBL1612063 0.87 ALDH1A1 (0.49) NPSR1SMN1; SMN2NTRK1NTRK2LMNA
SCHEMBL1493497 0.87 ALDH1A1 (0.51) NPSR1SMN1; SMN2NTRK1NTRK2LMNA

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 NPSR1 9/4885SMN1; SMN2 4215/4885NTRK1 731/4885

“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.