SCHEMBL7910683

SCHEMBL7910683

Cc1ccsc1-c1cccc2ccc(C(=O)N=C(N)N)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.47
SLC9A1 P19634 3/20 0.46
HTR2B P41595 11/20 0.45
HTR7 P34969 10/20 0.45
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL7915692 0.86 SLC9A1 (0.46) HTR5ASLC9A1HTR2BHTR7DRD2
SCHEMBL16502516 0.83 MEN1 (0.48)
SCHEMBL16502759 0.81 SLC9A1 (0.45) HTR5ASLC9A1HTR2BHTR7DRD2
SCHEMBL10030399 0.80 SLC9A1 (0.57) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16502763 0.80 HTR5A (0.52) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16502515 0.80 NQO2 (0.42)
SCHEMBL7918264 0.80 SLC9A1 (0.49) HTR5ASLC9A1HTR2BHTR7DRD2
SCHEMBL7919834 0.79 SLC9A1 (0.56) HTR5ASLC9A1HTR2BHTR7DRD2
SCHEMBL7921972 0.78 MEN1 (0.40)
SCHEMBL16502768 0.78 HTR2B (0.51) 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 4 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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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 1/4885SLC9A1 1256/4885HTR2B 5/4885

“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.