SCHEMBL10030451

SCHEMBL10030451

[C-]#[N+]c1ccc2ccc(C(=O)N=C(N)N)cc2c1-c1c(F)cc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 18/20 0.55
SLC9A1 P19634 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL10030455 0.91 HTR5A (0.53) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030465 0.89 HTR5A (0.44) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030466 0.89 HTR5A (0.56) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030454 0.88 HTR5A (0.55) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030462 0.86 HTR5A (0.43) HTR5ASLC9A1
SCHEMBL10030456 0.84 HTR5A (0.54) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030458 0.84 HTR5A (0.55) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030450 0.84 HTR5A (0.57) HTR5ASLC9A1HTR7HTR2B
SCHEMBL10030409 0.83 PLA2G2D (0.38) HTR5A
SCHEMBL10030468 0.81 SLC9A1 (0.42) 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 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 HTR5A 1/4885SLC9A1 1394/4885HTR7 11/4885

“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.