SCHEMBL9907676

SCHEMBL9907676

[C-]#[N+]c1ccc(-c2ncc(Cl)c3ccc(C(=O)OC)cc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.40
CSNK2A1 P68400 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SLC2A1 P11166 1/20 0.36
TP53 P04637 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
DYRK1A Q13627 1/20 0.34
MAP2K4 P45985 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAX8 Q06710 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL9907682 0.88 HTR5A (0.42) HTR5ACSNK2A2CSNK2BALDH1A1L3MBTL1
SCHEMBL9907697 0.86 MAP2K4 (0.45) HTR5ACSNK2A1NR1H2NR1H3SLC2A1
SCHEMBL9907675 0.84 HTR5A (0.54) HTR5ACSNK2A1SLC2A1MAP2K4KDM4E
SCHEMBL9907567 0.82 HTR5A (0.41) HTR5ACSNK2A1NR1H2NR1H3SLC2A1
SCHEMBL9907758 0.82 HTR5A (0.43) HTR5ACSNK2A1NR1H2NR1H3TP53
SCHEMBL9907679 0.80 HTR5A (0.44) HTR5ACSNK2A1TP53CSNK2A2CSNK2B
SCHEMBL9907730 0.79 MAP2K4 (0.46) HTR5ACSNK2A1CSNK2A2CSNK2BMAP2K4
SCHEMBL9907661 0.78 HTR5A (0.52) HTR5ACSNK2A1TP53ALDH1A1KDM4E
SCHEMBL9908003 0.78 HTR5A (0.52) HTR5ACSNK2A1DYRK1AMAP2K4KDM4E
SCHEMBL9907759 0.78 HTR5A (0.54) HTR5ACSNK2A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885CSNK2A1 4309/4885NR1H2 705/4885

“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.