SCHEMBL9909283

SCHEMBL9909283

COc1cc(C#N)ccc1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.49
PLG P00747 1/20 0.49
SCN9A Q15858 7/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
FFAR2 O15552 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
HTR5A P47898 1/20 0.40
LRRK2 Q5S007 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 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
SCHEMBL12874529 0.91 PLAU (0.48) PLAUPLGSCN9AMRGPRX4FFAR2
SCHEMBL9909294 0.86 HTR5A (0.59) PLAUPLGHTR5A
SCHEMBL9909200 0.86 PLAU (0.51) PLAUPLGSCN9AMRGPRX4HTR5A
SCHEMBL9909194 0.84 HTR5A (0.54) PLAUPLGSCN9AHTR5ALRRK2
SCHEMBL9909265 0.82 PDE5A (0.42) PLAUPLGSCN9AMRGPRX4SLC22A12
SCHEMBL9909175 0.79 SCN9A (0.45) PLAUSCN9AMRGPRX4EGLN1HTR5A
SCHEMBL9909177 0.78 PLAU (0.47) PLAUPLGMRGPRX4HTR5A
SCHEMBL9909295 0.78 PLG (0.54) PLAUPLGHTR5ALRRK2
SCHEMBL16509491 0.78 SLC22A12 (0.43) SCN9AMRGPRX4SLC22A12EGLN1CYP11B1
SCHEMBL9909315 0.77 HTR5A (0.50) PLAUPLGMRGPRX4HTR5ALRRK2

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-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 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 3328/4885SCN9A 412/4885

“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.