SCHEMBL6045855

SCHEMBL6045855

CC(C)(C)OC(=O)CCNC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.43
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4700948 0.88 BDKRB1 (0.42) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL14084959 0.87 DRD2 (0.43) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL6045815 0.84 BDKRB1 (0.47) BDKRB1KMT2AMAPTHPGDPOLB
SCHEMBL6045950 0.83 BDKRB1 (0.48) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL6045862 0.83 BDKRB1 (0.49) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL6046083 0.81 CYP1A2 (0.48) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL14084823 0.81 BDKRB1 (0.46) BDKRB1KMT2AMAPTSMN1; SMN2F2
SCHEMBL4704975 0.80 RAB9A (0.60) BDKRB1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL14084810 0.80 SIGMAR1 (0.48) BDKRB1HPGDPOLB
SCHEMBL14040677 0.79 BDKRB1 (0.55) BDKRB1KMT2AMAPTSMN1; SMN2POLB

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 1/4885KMT2A 2589/4885MAPT 3561/4885

“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.