SCHEMBL6046003

SCHEMBL6046003

O=C(Nc1[nH]nc(C(=O)NCCN2CCOCC2)c1Br)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
BCL3 P20749 4/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
KDM5B Q9UGL1 1/20 0.48
BDKRB1 P46663 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL14084806 0.95 BCL3 (0.52) HTTBCL3ALDH1A1SMN1; SMN2TSHR
SCHEMBL6045828 0.92 BDKRB1 (0.49) HTTSMN1; SMN2BDKRB1
SCHEMBL6046172 0.91 BDKRB1 (0.54) HTTBDKRB1
SCHEMBL6046028 0.91 BDKRB1 (0.48) HTTSMN1; SMN2BDKRB1
SCHEMBL6046007 0.89 BDKRB1 (0.47) MAPTBDKRB1
SCHEMBL4705015 0.88 HTT (0.51) HTTBCL3ALDH1A1SMN1; SMN2MAPT
SCHEMBL6045882 0.88 BDKRB1 (0.57) BDKRB1
SCHEMBL6045916 0.87 BDKRB1 (0.51) HTTALDH1A1SMN1; SMN2MAPTBDKRB1
SCHEMBL6045893 0.85 BDKRB1 (0.52) HTTBDKRB1MEN1KMT2A
SCHEMBL14108180 0.84 DRD2 (0.52) BDKRB1

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 HTT 4172/4885BCL3 1613/4885ALDH1A1 2017/4885

“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.