SCHEMBL9907916

SCHEMBL9907916

[C-]#[N+]c1cc(Cl)ccc1-c1nccc2ccc(C(=O)N=C(N)N)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.44
HTR5A P47898 13/20 0.44
HTR7 P34969 4/20 0.42
PLAU P00749 1/20 0.39
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL9907915 0.86 HTR5A (0.49) HTR2BHTR5AHTR7PLAUDRD2
SCHEMBL9907914 0.86 HTR5A (0.55) HTR2BHTR5AHTR7PLAU
SCHEMBL9907395 0.85 PLAU (0.43) PLAU
SCHEMBL9907912 0.84 HTR5A (0.59) HTR2BHTR5AHTR7PLAU
SCHEMBL9909260 0.82 HTR2B (0.44) HTR2BHTR5AHTR7PLAU
SCHEMBL9907392 0.81 CSNK2A2 (0.39) PLAU
SCHEMBL9907917 0.80 HTR5A (0.51) HTR2BHTR5AHTR7PLAU
SCHEMBL9907913 0.77 HTR5A (0.55) HTR2BHTR5AHTR7PLAU
SCHEMBL9907911 0.75 HTR5A (0.60) HTR2BHTR5AHTR7PLAU
SCHEMBL9907904 0.73 PLAU (0.50) HTR2BHTR5AHTR7PLAU

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 2 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
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 HTR2B 6/4885HTR5A 1/4885HTR7 18/4885

“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.