SCHEMBL6402615

SCHEMBL6402615

COc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 1.00
MAPT P10636 4/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL6404693 0.88 BDKRB1 (0.78) BDKRB1MAPTMAPK1ALDH1A1POLB
SCHEMBL4427205 0.88 BDKRB1 (0.78) BDKRB1MAPTMAPK1ALDH1A1POLB
SCHEMBL4432052 0.86 ALDH1A1 (0.76) BDKRB1MAPTMAPK1ALDH1A1POLB
SCHEMBL6698072 0.84 BDKRB1 (0.73) BDKRB1MAPTMAPK1ALDH1A1POLB
SCHEMBL4425413 0.81 BDKRB1 (0.68) BDKRB1MAPK1ALDH1A1POLBMEN1
SCHEMBL4420739 0.81 BDKRB1 (0.68) BDKRB1MAPK1ALDH1A1POLBMEN1
SCHEMBL6712062 0.80 BDKRB1 (0.67) BDKRB1MAPK1ALDH1A1POLBMEN1
SCHEMBL4431101 0.80 BDKRB1 (0.67) BDKRB1ALDH1A1POLBKDM4EHPGD
SCHEMBL6406112 0.80 BDKRB1 (0.67) BDKRB1ALDH1A1POLBKDM4EHPGD
SCHEMBL4422565 0.80 BDKRB1 (0.67) BDKRB1ALDH1A1POLBKDM4EHPGD

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 3 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
US-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BAYER HEALTHCARE AG (DE) 2004-11-25 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 (2 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-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BDKRB2, BDKRB1, LTB4R2 BDKRB1 2/4885MAPT 3174/4885MAPK1 926/4885
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885MAPT 3668/4885MAPK1 352/4885

“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.