SCHEMBL1610113

SCHEMBL1610113

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2-c2ccncc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 9/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
NTRK1 P04629 2/20 0.47
NTRK2 Q16620 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NFE2 Q16621 1/20 0.47

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) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1493373 0.93 NPSR1 (0.55) NPSR1ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL1611034 0.91 KMT2A (0.56) NPSR1ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL1612310 0.90 NPSR1 (0.51) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1493410 0.88 CYP3A4 (0.53) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1611457 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL1493481 0.87 NPSR1 (0.49) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1493383 0.87 ALDH1A1 (0.49) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1611435 0.87 NPSR1 (0.49) NPSR1ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL1611338 0.85 ALDH1A1 (0.53) NPSR1ALDH1A1SMN1; SMN2KMT2AMAPT

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 1 patent. 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 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 9/4885ALDH1A1 3233/4885SMN1; SMN2 4215/4885

“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.