SCHEMBL7044406

SCHEMBL7044406

CCN(CCc1ccncc1)C(=O)C(C(C(=O)O)[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.35
CHRM1 P11229 3/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.31
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
MAPT P10636 1/20 0.30
CHRM3 P20309 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL7043108 0.92 CHRM1 (0.34) BDKRB1CHRM1ALDH1A1POLB
SCHEMBL7044411 0.85 BDKRB1 (0.39) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4417601 0.84 BDKRB1 (0.44) BDKRB1ALDH1A1POLB
SCHEMBL7043111 0.78 BDKRB1 (0.39) BDKRB1ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL4423798 0.78 BDKRB1 (0.42) BDKRB1ALDH1A1POLBTSHR
SCHEMBL4418923 0.77 BDKRB1 (0.43) BDKRB1ALDH1A1POLB
SCHEMBL4428214 0.72 BDKRB1 (0.60) BDKRB1ALDH1A1POLB
SCHEMBL4420622 0.69 BDKRB1 (0.54) BDKRB1ALDH1A1POLB
SCHEMBL4425412 0.69 BDKRB1 (0.54) BDKRB1ALDH1A1POLB
SCHEMBL4432218 0.68 BDKRB1 (0.50) BDKRB1ALDH1A1POLB

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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885CHRM1 1857/4885PSEN1 3824/4885

“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.