SCHEMBL7916604

SCHEMBL7916604

NC(N)=NC(=O)c1ccc2cccc(-c3c(F)ccc(F)c3O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.51
HTR2B P41595 7/20 0.48
HTR7 P34969 6/20 0.48
SLC9A1 P19634 1/20 0.47

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
SCHEMBL7916628 0.90 HTR5A (0.58) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7918249 0.88 HTR5A (0.49) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7918327 0.88 HTR5A (0.54) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7920037 0.88 HTR5A (0.52) HTR5AHTR2BHTR7SLC9A1
SCHEMBL16502827 0.87 HTR5A (0.52) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7923016 0.87 HTR5A (0.52) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7918251 0.86 HTR5A (0.50) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7919734 0.86 SLC9A1 (0.48) HTR5AHTR2BHTR7SLC9A1
SCHEMBL7918351 0.86 HTR5A (0.47) HTR5AHTR2BHTR7SLC9A1
SCHEMBL16502767 0.86 HTR5A (0.59) HTR5AHTR2BHTR7SLC9A1

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-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
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO 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 1/4885HTR2B 5/4885HTR7 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.