SCHEMBL9909169

SCHEMBL9909169

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(C#N)cc3OC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
SCN9A Q15858 2/20 0.42
PLAU P00749 1/20 0.41
HTR5A P47898 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MALT1 Q9UDY8 2/20 0.39
EGLN1 Q9GZT9 4/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9909265 0.91 PDE5A (0.42) PDE5AMRGPRX4SCN9APLAUHTR5A
SCHEMBL9925448 0.88 HTR5A (0.52) PDE5AMRGPRX4HTR5AEGLN1MEN1
SCHEMBL9909230 0.86 MEN1 (0.44) SCN9AHTR5AROCK2ROCK1MEN1
SCHEMBL9909242 0.86 HTR5A (0.59) PDE5ASCN9APLAUHTR5A
SCHEMBL9909232 0.84 EGLN2 (0.44) PDE5AMRGPRX4PLAU
SCHEMBL16509509 0.83 MRGPRX4 (0.45) MRGPRX4SCN9APLAULRRK2ROCK2
SCHEMBL9925238 0.83 HTR5A (0.49) PDE5ASCN9APLAUHTR5ALRRK2
SCHEMBL12874529 0.83 PLAU (0.48) PDE5AMRGPRX4SCN9APLAUHTR5A
SCHEMBL9909208 0.81 SCN9A (0.51) PDE5AMRGPRX4SCN9AEGLN1
SCHEMBL9909273 0.79 HTR5A (0.44) SCN9AHTR5AKMT2A

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
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

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 PDE5A 82/4885MRGPRX4 1163/4885SCN9A 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.