SCHEMBL4037902

SCHEMBL4037902

NC(=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.69
L3MBTL1 Q9Y468 13/20 0.69
MBTD1 Q05BQ5 7/20 0.69
TP53BP1 Q12888 2/20 0.69
L3MBTL4 Q8NA19 2/20 0.69
HRH3 Q9Y5N1 2/20 0.62
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13034092 0.98 L3MBTL3 (0.71) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL30361159 0.88 HRH3 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL6270469 0.87 HRH3 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4237552 0.86 L3MBTL3 (0.71) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4048623 0.86 HRH3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL21776913 0.86 L3MBTL3 (0.75) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL722840 0.85 L3MBTL3 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL15951981 0.84 L3MBTL3 (0.73) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13034168 0.84 L3MBTL3 (0.91) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14529142 0.84 L3MBTL3 (0.91) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R L3MBTL3 2992/4885L3MBTL1 1719/4885MBTD1 2004/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 L3MBTL3 2103/4885L3MBTL1 979/4885MBTD1 1878/4885

“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.