SCHEMBL2540993

SCHEMBL2540993

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2Cl)CC1)c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.49
MAPK14 Q16539 1/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SCD O00767 1/20 0.36
EZH2 Q15910 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
SCHEMBL2546946 0.92 BDKRB1 (0.47) BDKRB1MAPK14TDP1ABL1ALDH1A1
SCHEMBL765173 0.89 BDKRB1 (0.43) BDKRB1MAPK14ROCK2ROCK1CNR1
SCHEMBL765538 0.89 BDKRB1 (0.58) BDKRB1MAPK14TDP1ALDH1A1L3MBTL1
SCHEMBL12239086 0.89 BDKRB1 (0.45) BDKRB1ROCK2ROCK1CNR1P2RX7
SCHEMBL13191581 0.85 BDKRB1 (0.49) BDKRB1MAPK14TDP1ABL1CNR1
SCHEMBL756518 0.82 BDKRB1 (0.39) BDKRB1MAPK14TDP1ABL1CNR1
SCHEMBL13165597 0.81 BDKRB1 (0.40) BDKRB1ROCK2ROCK1ALDH1A1P2RX7
SCHEMBL764474 0.81 BDKRB1 (0.54) BDKRB1MAPK14TDP1ALDH1A1L3MBTL1
SCHEMBL765202 0.81 CNR1 (0.53) BDKRB1CNR1
SCHEMBL12262764 0.80 BDKRB1 (0.55) BDKRB1MAPK14ALDH1A1L3MBTL1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885MAPK14 1751/4885ROCK2 2616/4885

“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.