SCHEMBL10030463

SCHEMBL10030463

[C-]#[N+]c1ccc2ccc(C(=O)N=C(N)N)cc2c1-c1ccc(C#N)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.38
HTR2B P41595 7/20 0.38
HTR5A P47898 5/20 0.38
NSD2 O96028 1/20 0.35
PLAU P00749 1/20 0.34
SLC9A1 P19634 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL10030433 0.86 SLC22A12 (0.43)
SCHEMBL16502800 0.85 HTR5A (0.42) HTR7HTR2BHTR5A
SCHEMBL10030434 0.83 PLAU (0.40) PLAU
SCHEMBL16502722 0.81 HTR2B (0.45) HTR7HTR2BHTR5ASLC9A1DRD2
SCHEMBL7916007 0.78 HTR5A (0.41) HTR7HTR2BHTR5ANSD2SLC9A1
SCHEMBL10030454 0.76 HTR5A (0.55) HTR7HTR2BHTR5ASLC9A1
SCHEMBL10030456 0.76 HTR5A (0.54) HTR7HTR2BHTR5ASLC9A1
SCHEMBL10030457 0.75 HTR5A (0.50) HTR7HTR2BHTR5ASLC9A1DRD2
SCHEMBL10030458 0.75 HTR5A (0.55) HTR7HTR2BHTR5ASLC9A1DRD2
SCHEMBL10030468 0.74 SLC9A1 (0.42) HTR7HTR2BHTR5ASLC9A1DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A HTR7 11/4885HTR2B 6/4885HTR5A 1/4885

“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.