SCHEMBL9909307

SCHEMBL9909307

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 16/20 0.67
SCN9A Q15858 2/20 0.47
HTR2B P41595 1/20 0.43
SLC9A1 P19634 1/20 0.42

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
SCHEMBL9909310 0.90 HTR5A (0.73) HTR5ASCN9ASLC9A1
SCHEMBL9909292 0.90 HTR5A (0.64) HTR5AHTR2BSLC9A1
SCHEMBL12874533 0.90 HTR5A (0.55) HTR5ASCN9A
SCHEMBL9907922 0.88 HTR5A (0.75) HTR5AHTR2B
SCHEMBL9907965 0.87 HTR5A (0.71) HTR5AHTR2B
SCHEMBL9908042 0.87 HTR5A (0.74) HTR5AHTR2B
SCHEMBL9907946 0.87 HTR5A (0.84) HTR5AHTR2B
SCHEMBL9909285 0.86 SCN9A (0.51) HTR5ASCN9A
SCHEMBL9909280 0.85 SCN9A (0.52) HTR5ASCN9A
SCHEMBL9909258 0.84 HTR5A (0.76) HTR5ASLC9A1

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 HTR5A 1/4885SCN9A 412/4885HTR2B 6/4885

“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.