SCHEMBL6045959

SCHEMBL6045959

COc1ccc([C@@H](C)NC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
MEN1 O00255 1/20 0.41
PDE2A O00408 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PHGDH O43175 1/20 0.40

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
SCHEMBL6045865 0.90 BDKRB1 (0.60) BDKRB1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL14084803 0.90 BDKRB1 (0.68) BDKRB1SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL14084789 0.90 BDKRB1 (0.68) BDKRB1SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL14084864 0.89 BDKRB1 (0.59) BDKRB1SMN1; SMN2TAS1R3TAS1R1MAPT
SCHEMBL6046120 0.89 BDKRB1 (0.59) BDKRB1SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL6046051 0.89 BDKRB1 (0.58) BDKRB1SMN1; SMN2MAPTKMT2AF2
SCHEMBL4705076 0.88 BDKRB1 (0.52) BDKRB1SMN1; SMN2TAS1R3TAS1R1HSP90AA1
SCHEMBL6046075 0.86 BDKRB1 (0.55) BDKRB1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL14507355 0.85 ALDH1A1 (0.54) BDKRB1HSP90AA1HSP90AB1MAPTTDP1
SCHEMBL6045852 0.81 BDKRB1 (0.50) BDKRB1SMN1; SMN2MAPTTDP1ALDH1A1

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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BDKRB1 1/4885SMN1; SMN2 3662/4885TAS1R3 591/4885

“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.