Sugi Predict

Sugi Predict / Compounds / SCHEMBL6512274

SCHEMBL6512274

SCHEMBL6512274

CNC(=O)[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 12/20 0.55
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ SMO Q99835 2/20 0.42
▸ TACR3 P29371 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL5823069 0.90 BDKRB1 (0.57) BDKRB1SMOF2MAPTHPGD
SCHEMBL14448705 0.90 BDKRB1 (0.57) BDKRB1SMOF2MAPTHPGD
SCHEMBL14448704 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL6510482 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL5794807 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL6513485 0.88 BDKRB1 (0.69) BDKRB1SMOTACR3F2MAPT
SCHEMBL4703867 0.87 BDKRB1 (0.54) BDKRB1SMOF2MAPTHPGD
SCHEMBL14084803 0.86 BDKRB1 (0.68) BDKRB1SMOMAPK1HPGDKMT2A
SCHEMBL14084789 0.86 BDKRB1 (0.68) BDKRB1SMOMAPK1HPGDKMT2A
SCHEMBL4706222 0.84 BDKRB1 (0.50) BDKRB1F2MAPTHPGDKMT2A

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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 — — US claimed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 — — US disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 — — US disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 — — 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MMP1 2477/4885MMP3 3103/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 BDKRB1 1/4885MMP1 1987/4885MMP3 3208/4885

“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.