SCHEMBL6045932

SCHEMBL6045932

NC(=O)C(N1CCOCC1)n1nc(C(=O)O)c(Br)c1NC(=O)c1ccccc1CSc1cccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 2/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
PIK3C2B O00750 1/20 0.34

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
SCHEMBL6046015 0.78 RAB9A (0.43) MAPTCNR1CNR2
SCHEMBL4035525 0.72 HDAC6 (0.46) KDM4EPKMALDH1A1MAPTHDAC6
SCHEMBL6045923 0.71 SMN1; SMN2 (0.50) KDM4EL3MBTL1PKMCXCR5APLNR
SCHEMBL4033196 0.68 ALDH1A1 (0.64) KDM4EL3MBTL1PKMHTTNPSR1
SCHEMBL4788812 0.68 ALDH1A1 (0.46) KDM4EL3MBTL1PKMCXCR5APLNR
SCHEMBL14040561 0.67 ALDH1A1 (0.44) KDM4EPKMALDH1A1MAPTHDAC6
SCHEMBL4035062 0.64 ALDH1A1 (0.57) KDM4EL3MBTL1PKMHTTNPSR1
SCHEMBL4036640 0.63 ALDH1A1 (0.55) KDM4EL3MBTL1PKMHTTNPSR1
SCHEMBL13770683 0.61 ALDH1A1 (0.50) KDM4EL3MBTL1PKMHTTNPSR1
SCHEMBL29773906 0.60 ALDH1A1 (0.66) KDM4EL3MBTL1NPSR1ALDH1A1MAPT

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 2 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-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 KDM4E 2152/4885L3MBTL1 3437/4885PKM 1447/4885

“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.