SCHEMBL6045815

SCHEMBL6045815

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.47
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 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
SCHEMBL6045862 0.88 BDKRB1 (0.49) BDKRB1KMT2ANPC1RAB9AMAPT
SCHEMBL6045950 0.86 BDKRB1 (0.48) BDKRB1KMT2ANPC1RAB9AMAPT
SCHEMBL4702475 0.86 BDKRB1 (0.42) BDKRB1HDAC3HDAC1KMT2AJAK2
SCHEMBL14084823 0.85 BDKRB1 (0.46) BDKRB1KMT2ANPC1RAB9AMAPT
SCHEMBL14084963 0.85 HDAC3 (0.47) BDKRB1HDAC3HDAC1POLBNPC1
SCHEMBL4704975 0.85 RAB9A (0.60) BDKRB1POLBKMT2ANPC1RAB9A
SCHEMBL6046083 0.84 CYP1A2 (0.48) BDKRB1KMT2AMAPTMAPK1CYP2C9
SCHEMBL6045855 0.84 BDKRB1 (0.43) BDKRB1POLBKMT2ANPC1RAB9A
SCHEMBL3820075 0.84 BDKRB1 (0.51) BDKRB1POLBKMT2AJAK2JAK1
SCHEMBL4703233 0.83 BDKRB1 (0.48) BDKRB1POLBKMT2ANPC1RAB9A

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 1/4885HDAC3 1427/4885HDAC1 818/4885

“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.