SCHEMBL9909177

SCHEMBL9909177

COc1ccc(-c2ncc(Cl)c3ccc(C(=O)O)cc23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.47
PLG P00747 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTR5A P47898 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAP4K4 O95819 1/20 0.40
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CDC7 O00311 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK9 P50750 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
SRD5A2 P31213 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
SCHEMBL9908007 0.90 HTR5A (0.54) PLAUPLGKDM4EHTR5AMRGPRX4
SCHEMBL9907995 0.90 HTR5A (0.54) PLAUPLGKDM4EHTR5AMRGPRX4
SCHEMBL9909276 0.89 HTR5A (0.43) PLAUPLGKDM4EHTR5ACA1
SCHEMBL9909304 0.85 HTR5A (0.65) PLAUPLGHTR5ACSNK2A2CSNK2B
SCHEMBL9907685 0.84 HTR5A (0.47) PLAUPLGKDM4EHTR5AMRGPRX4
SCHEMBL9907732 0.84 SRD5A2 (0.49) PLAUPLGKDM4EHTR5ASRD5A2
SCHEMBL9909200 0.82 PLAU (0.51) PLAUPLGHTR5AMRGPRX4CA1
SCHEMBL9907688 0.81 HTR5A (0.60) PLAUPLGHTR5AMAP4K4CSNK2A2
SCHEMBL9909194 0.81 HTR5A (0.54) PLAUPLGHTR5ACCNT1CDK9
SCHEMBL9907997 0.80 HTR5A (0.53) PLAUPLGKDM4EHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PLAU 3322/4885PLG 3328/4885KDM4E 1474/4885

“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.