SCHEMBL2235277

SCHEMBL2235277

COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4cccnc4N)CC3)o2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
KCNH2 Q12809 2/20 0.37
CCR8 P51685 1/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2242580 0.84 BDKRB1 (0.42) BDKRB1ALDH1A1KCNH2MCHR1LMNA
SCHEMBL12347367 0.81 MCHR1 (0.46) BDKRB1KCNH2MCHR1
SCHEMBL1935724 0.81 BDKRB1 (0.45) BDKRB1KCNH2MCHR1
SCHEMBL2239167 0.81 KMT2A (0.45) BDKRB1ALDH1A1KCNH2MCHR1LMNA
SCHEMBL2242220 0.81 FAAH (0.51)
SCHEMBL2236179 0.80 BDKRB1 (0.52) BDKRB1KCNH2MCHR1LMNA
SCHEMBL2242234 0.80 BDKRB1 (0.42) BDKRB1KCNH2MCHR1
SCHEMBL2242698 0.79 BDKRB1 (0.62) BDKRB1KCNH2MCHR1
SCHEMBL12347369 0.79 MCHR1 (0.42) BDKRB1ALDH1A1KCNH2MCHR1
SCHEMBL12347370 0.79 PPARD (0.44) BDKRB1ALDH1A1KCNH2MCHR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885ALDH1A1 3283/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885ALDH1A1 3363/4885KDM4E 2968/4885

“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.