SCHEMBL4717701

SCHEMBL4717701

O=Cc1cccc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.48
GAA P10253 5/20 0.48
SI P14410 5/20 0.48
MGAM2 Q2M2H8 5/20 0.48
PARP1 P09874 8/20 0.46
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
PSMB8 P28062 1/20 0.40
CDK8 P49336 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DHODH Q02127 3/20 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
SCHEMBL4716304 0.91 GAA (0.47) MGAMGAASIMGAM2PARP1
SCHEMBL4715176 0.89 MGAM (0.43) MGAMGAASIMGAM2PARP1
SCHEMBL14587796 0.81 ADORA3 (0.46) MGAMGAASIMGAM2PARP1
SCHEMBL4717461 0.79 MGAM (0.43) MGAMGAASIMGAM2PARP1
SCHEMBL4712950 0.79 ALDH1A1 (0.44) MGAMGAASIMGAM2PARP1
SCHEMBL27961298 0.77 ADORA1 (0.57) MGAMGAASIMGAM2PARP1
SCHEMBL23758276 0.76 HDAC1 (0.63) GAAHDAC1HDAC8HDAC6
SCHEMBL4715207 0.76 GAA (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL5666118 0.75 PARP1 (0.43) MGAMGAASIMGAM2PARP1
SCHEMBL23758269 0.75 KDM4E (0.50) MGAMGAASIMGAM2PARP1

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
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 MGAM 4641/4885GAA 3511/4885SI 3857/4885

“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.