Sugi Predict

Sugi Predict / Compounds / SCHEMBL6513086

SCHEMBL6513086

SCHEMBL6513086

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 12/20 0.50
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL6513676 0.91 BDKRB1 (0.49) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL14448703 0.90 BDKRB1 (0.53) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL14448701 0.90 BDKRB1 (0.53) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6046096 0.85 BDKRB1 (0.48) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6510462 0.84 BDKRB1 (0.50) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6045797 0.84 BDKRB1 (0.47) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6512280 0.84 BDKRB1 (0.70) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6045922 0.83 BDKRB1 (0.48) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6045839 0.83 BDKRB1 (0.48) BDKRB1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL6045870 0.83 BDKRB1 (0.48) BDKRB1MAPTHPGDKMT2ASMN1; SMN2

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 1/4885MAPT 2597/4885HPGD 260/4885
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 1/4885MAPT 4030/4885HPGD 604/4885

“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.