SCHEMBL2521885

SCHEMBL2521885

COC(=O)CC1c2cc(OC)cc(OC)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.55
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL2516427 0.92 BDKRB1 (0.54) BDKRB1CYP3A4GAACYP2C19MMP9
SCHEMBL2519324 0.90 BDKRB1 (0.67) BDKRB1NPC1CYP3A4GAACYP2C19
SCHEMBL2518523 0.84 BDKRB1 (0.55) BDKRB1NPC1CYP3A4GAACYP2C19
SCHEMBL2517423 0.83 BDKRB1 (0.59) BDKRB1NPC1CYP3A4GAACYP2C19
SCHEMBL2531257 0.82 BDKRB1 (0.46) BDKRB1MMP9MMP2PSEN1PSEN2
SCHEMBL2518199 0.81 BDKRB1 (0.65) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2517453 0.81 BDKRB1 (0.85) BDKRB1
SCHEMBL2517451 0.81 BDKRB1 (0.85) BDKRB1
SCHEMBL2515348 0.80 BDKRB1 (0.58) BDKRB1NPC1CYP3A4GAACYP2C19
SCHEMBL2521973 0.79 BDKRB1 (0.48) BDKRB1NPC1CYP3A4GAACYP2C19

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 4 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
EP-1966142-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2008-09-10 EP disclosed
WO-2007072092-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO 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 2/4885NPC1 2876/4885CYP3A4 993/4885

“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.