SCHEMBL16502811

SCHEMBL16502811

NC(N)=NC(=O)c1ccc2cccc(-c3cc(Cl)c(F)cc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.52
SLC9A1 P19634 3/20 0.46
HTR7 P34969 4/20 0.46
HTR2B P41595 4/20 0.46

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
SCHEMBL7920160 0.90 HTR5A (0.50) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7923148 0.87 HTR5A (0.50) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7917542 0.87 HTR5A (0.55) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7915714 0.86 HTR5A (0.49) HTR5ASLC9A1HTR7HTR2B
SCHEMBL16502770 0.86 HTR5A (0.52) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7920030 0.84 SLC9A1 (0.59) HTR5ASLC9A1HTR7HTR2B
SCHEMBL16502736 0.84 HTR5A (0.60) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7919066 0.84 SLC9A1 (0.57) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7920219 0.84 HTR5A (0.52) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7916796 0.84 HTR5A (0.62) HTR5ASLC9A1HTR7HTR2B

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
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A HTR5A 1/4885SLC9A1 1256/4885HTR7 12/4885

“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.