SCHEMBL1613052

SCHEMBL1613052

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2cccnc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.46
P2RX7 Q99572 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1610585 0.92 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL1493383 0.91 ALDH1A1 (0.49) GAAPOLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1611368 0.89 ALDH1A1 (0.49) TDP1GAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1612063 0.89 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL1493526 0.88 ALDH1A1 (0.49) GAAPOLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1611638 0.88 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL1611375 0.88 ALDH1A1 (0.49) GAAPOLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1611938 0.88 ALDH1A1 (0.48) TDP1GAAPOLBALDH1A1SMN1; SMN2
SCHEMBL1611330 0.88 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL1612863 0.87 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2CYP3A4KMT2A

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 TDP1 4723/4885GAA 2218/4885POLB 4782/4885

“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.