SCHEMBL4716304

SCHEMBL4716304

O=Cc1ccc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
MGAM O43451 5/20 0.47
SI P14410 5/20 0.47
MGAM2 Q2M2H8 5/20 0.47
PARP1 P09874 6/20 0.45
DHODH Q02127 8/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4717701 0.91 MGAM (0.48) GAAMGAMSIMGAM2PARP1
SCHEMBL4715176 0.85 MGAM (0.43) GAAMGAMSIMGAM2PARP1
SCHEMBL14587796 0.80 ADORA3 (0.46) GAAMGAMSIMGAM2PARP1
SCHEMBL4712950 0.78 ALDH1A1 (0.44) GAAMGAMSIMGAM2PARP1
SCHEMBL4717461 0.78 MGAM (0.43) GAAMGAMSIMGAM2PARP1
SCHEMBL27961298 0.76 ADORA1 (0.57) GAAMGAMSIMGAM2PARP1
SCHEMBL4715207 0.75 GAA (0.54) GAAMGAMSIMGAM2PARP1
SCHEMBL22143360 0.74 DHODH (0.54) GAAMGAMSIMGAM2PARP1
SCHEMBL5666118 0.74 PARP1 (0.43) GAAMGAMSIMGAM2PARP1
SCHEMBL1170768 0.73 ADORA1 (0.61) GAAMGAMSIMGAM2PARP1

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 GAA 3511/4885MGAM 4641/4885SI 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.