SCHEMBL4717461

SCHEMBL4717461

O=Cc1ccc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.43
GAA P10253 5/20 0.43
SI P14410 5/20 0.43
MGAM2 Q2M2H8 5/20 0.43
PARP1 P09874 6/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RY6 Q15077 1/20 0.38
PSMB8 P28062 1/20 0.36
APP P05067 1/20 0.36
PRF1 P14222 1/20 0.36
DHODH Q02127 2/20 0.36

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 0.79 MGAM (0.48) MGAMGAASIMGAM2PARP1
SCHEMBL4716304 0.78 GAA (0.47) MGAMGAASIMGAM2PARP1
SCHEMBL14587796 0.76 ADORA3 (0.46) MGAMGAASIMGAM2PARP1
SCHEMBL4715176 0.74 MGAM (0.43) MGAMGAASIMGAM2PARP1
SCHEMBL4712950 0.74 ALDH1A1 (0.44) MGAMGAASIMGAM2PARP1
SCHEMBL27961298 0.72 ADORA1 (0.57) MGAMGAASIMGAM2PARP1
SCHEMBL4715207 0.72 GAA (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL2019002 0.71 PRF1 (0.56) GAACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4716340 0.71 SLC2A1 (0.41) PARP1
SCHEMBL5666118 0.70 PARP1 (0.43) 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.