SCHEMBL1611780

SCHEMBL1611780

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2-c2cccc(-c3cccc(F)c3)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1611034 0.88 KMT2A (0.56) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1611622 0.87 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1611457 0.86 ALDH1A1 (0.60) SMN1; SMN2POLBALDH1A1LMNANTRK1
SCHEMBL1493373 0.85 NPSR1 (0.55) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1610113 0.85 NPSR1 (0.52) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL1611496 0.85 HSD11B1 (0.42) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL1493481 0.85 NPSR1 (0.49) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1493343 0.84 ALDH1A1 (0.54) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1611638 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1612310 0.82 NPSR1 (0.51) SMN1; SMN2POLBALDH1A1KMT2ALMNA

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 SMN1; SMN2 4215/4885POLB 4782/4885ALDH1A1 3233/4885

“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.