SCHEMBL1710178

SCHEMBL1710178

Cc1cc(Cl)c(CCl)c(Cn2cccc(C#N)c2=O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.36
NPBWR1 P48145 1/20 0.34
P2RX7 Q99572 2/20 0.33
ADORA2A P29274 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1710221 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL13448520 0.75 BDKRB2 (0.42)
SCHEMBL1710222 0.75 BDKRB2 (0.61)
SCHEMBL1710282 0.74 BDKRB2 (0.51)
SCHEMBL1722553 0.74 BDKRB2 (0.46)
SCHEMBL13146265 0.74 BDKRB2 (0.48)
SCHEMBL12711418 0.74 BDKRB2 (0.51)
SCHEMBL1710286 0.74 BDKRB2 (0.49)
SCHEMBL2877771 0.74 BDKRB2 (0.34) ADORA2A
SCHEMBL13146270 0.74 BDKRB2 (0.48)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. 2016-02-04 US disclosed
EP-2344477-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2011-07-20 EP disclosed
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 WO 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-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA BDKRB2, BDKRB1, HRH2 KDM4E 3725/4885ALDH1A1 3163/4885HPGD 111/4885

“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.