SCHEMBL6406344

SCHEMBL6406344

COC(=O)c1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
ALDH1A1 P00352 1/20 0.73
BDKRB1 P46663 6/20 0.65
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL6407081 0.89 ALDH1A1 (0.86) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL6029674 0.85 ALDH1A1 (1.00) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL4432052 0.77 ALDH1A1 (0.76) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL20457664 0.77 ALDH1A1 (0.77) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL6404693 0.76 BDKRB1 (0.78) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL4424964 0.74 ALDH1A1 (0.76) POLBALDH1A1BDKRB1MAPTGAA
SCHEMBL6408196 0.73 ALDH1A1 (0.71) POLBALDH1A1BDKRB1MAPTMAPK1
SCHEMBL6030107 0.73 BDKRB1 (0.48) POLBALDH1A1BDKRB1
SCHEMBL4420787 0.72 BDKRB1 (0.63) POLBALDH1A1BDKRB1KDM4E
SCHEMBL5566131 0.72 BDKRB1 (0.63) POLBALDH1A1BDKRB1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 US claimed
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 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-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 POLB 2903/4885ALDH1A1 3743/4885BDKRB1 1/4885

“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.