SCHEMBL6046042

SCHEMBL6046042

O=C(Nc1[nH]nc(C(=O)NCCc2ccc(C3=NCCN3)cc2)c1Br)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.52
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
UBE2N P61088 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
F10 P00742 1/20 0.41
NISCH Q9Y2I1 2/20 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
SCHEMBL6045883 0.95 BDKRB1 (0.50) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL6045912 0.91 BDKRB1 (0.49) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL6045946 0.91 BDKRB1 (0.49) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL4705143 0.89 BDKRB1 (0.49) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL14507389 0.87 POLB (0.57) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL4704975 0.85 RAB9A (0.60) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL6045814 0.85 BDKRB1 (0.69) BDKRB1KMT2APOLBTDP1ALDH1A1
SCHEMBL6045816 0.85 BDKRB1 (0.56) BDKRB1KMT2APOLBTDP1ALDH1A1
SCHEMBL4706254 0.84 BDKRB1 (0.46) BDKRB1KMT2APOLBKDM4ETDP1
SCHEMBL14040677 0.84 BDKRB1 (0.55) BDKRB1KMT2APOLBTDP1ALDH1A1

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 2589/4885POLB 2950/4885

“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.