SCHEMBL2531813

SCHEMBL2531813

O=C(O)C(C1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.49
CCR2 P41597 1/20 0.37
HSD11B1 P28845 3/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL2534947 0.87 BDKRB1 (0.51) BDKRB1CCR2HSD11B1PSEN1PSEN2
SCHEMBL2528711 0.87 BDKRB1 (0.41) BDKRB1CCR2HSD11B1PSEN1PSEN2
SCHEMBL2520204 0.82 BDKRB1 (0.59) BDKRB1CCR2HSD11B1PSEN1PSEN2
SCHEMBL2533962 0.79 BDKRB1 (0.54) BDKRB1CCR2PSEN1PSEN2APH1B
SCHEMBL2515348 0.77 BDKRB1 (0.58) BDKRB1
SCHEMBL2531257 0.76 BDKRB1 (0.46) BDKRB1CCR2PSEN1PSEN2APH1B
SCHEMBL2517774 0.73 BDKRB1 (0.55) BDKRB1CCR2PSEN1PSEN2APH1B
SCHEMBL5210795 0.72 BDKRB1 (0.48) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2520198 0.71 BDKRB1 (0.60) BDKRB1CCR2PSEN1PSEN2APH1B
SCHEMBL5214883 0.69 PSEN1 (0.46) BDKRB1PSEN1PSEN2APH1BNCSTN

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-8034827-B2 Phenanthridine derivatives as bradykinin antagonists Richter Gegeon Nyrt. (HU) 2011-10-11 US disclosed
US-20090270411-A1 PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-10-29 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-20090270411-A1 PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885CCR2 539/4885HSD11B1 2804/4885

“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.