SCHEMBL16503548

SCHEMBL16503548

COc1ccc(C#N)cc1-c1cccc2ccc(C(=O)N=C(N)N)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.42
SLC9A1 P19634 6/20 0.41
PLAU P00749 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SCN9A Q15858 1/20 0.39
HTR2B P41595 3/20 0.38
HTR7 P34969 2/20 0.38
F7 P08709 1/20 0.38
P4HB P07237 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
SCHEMBL16494659 0.92 HTR5A (0.42) HTR5ASLC9A1PLAUIRAK4SCN9A
SCHEMBL16502766 0.86 SLC9A1 (0.44) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7920034 0.85 HTR5A (0.46) HTR5ASLC9A1PLAUHTR2BHTR7
SCHEMBL16502453 0.85 SLC22A12 (0.47) P4HB
SCHEMBL7920216 0.84 HTR5A (0.47) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7913855 0.84 SLC9A1 (0.54) HTR5ASLC9A1
SCHEMBL16502722 0.84 HTR2B (0.45) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16502452 0.84 PLAU (0.47) PLAUIRAK4SCN9AP4HB
SCHEMBL16502794 0.84 SLC9A1 (0.45) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16509473 0.82 HTR5A (0.48) HTR5ASLC9A1HTR2BHTR7

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A HTR5A 1/4885SLC9A1 1256/4885PLAU 2773/4885

“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.