SCHEMBL5389050

SCHEMBL5389050

CC(=O)Nc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.54
BDKRB1 P46663 12/20 0.53
GLA P06280 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL5383476 0.94 BDKRB1 (0.50) NISCHBDKRB1GLALMNAHTT
SCHEMBL14357397 0.92 BDKRB1 (0.53) NISCHBDKRB1LMNAHTTSMN1; SMN2
SCHEMBL5384566 0.89 BDKRB1 (0.56) NISCHBDKRB1LMNAHTTSMN1; SMN2
SCHEMBL5381878 0.89 BDKRB1 (0.56) NISCHBDKRB1LMNAHTTSMN1; SMN2
SCHEMBL5393603 0.89 BDKRB1 (0.59) NISCHBDKRB1LMNAHTTSMN1; SMN2
SCHEMBL5392295 0.88 BDKRB1 (0.56) NISCHBDKRB1
SCHEMBL5383552 0.88 BDKRB1 (0.56) NISCHBDKRB1SMN1; SMN2MEN1POLB
SCHEMBL5383663 0.88 BDKRB1 (0.60) NISCHBDKRB1LMNAHTTSMN1; SMN2
SCHEMBL5402622 0.88 BDKRB1 (0.56) NISCHBDKRB1SMN1; SMN2ALDH1A1
SCHEMBL5384842 0.88 BDKRB1 (0.57) NISCHBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US claimed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 NISCH 380/4885BDKRB1 1/4885GLA 2006/4885

“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.