SCHEMBL7915987

SCHEMBL7915987

NC(N)=NC(=O)c1ccc2cccc(-c3ccccc3O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
HTR2B P41595 14/20 0.51
HTR7 P34969 12/20 0.51
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR5A P47898 5/20 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
SCHEMBL7919834 0.90 SLC9A1 (0.56) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7917567 0.90 SLC9A1 (0.50) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502803 0.87 HTR2B (0.51) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16503547 0.86 SLC9A1 (0.39) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502777 0.85 HTR2B (0.53) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7919066 0.85 SLC9A1 (0.57) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502736 0.85 HTR5A (0.60) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7923246 0.85 SLC9A1 (0.55) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502794 0.84 SLC9A1 (0.45) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7917270 0.84 HTR2B (0.51) SLC9A1HTR2BHTR7DRD2ADRA1D

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 SLC9A1 1256/4885HTR2B 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.