SCHEMBL9909253

SCHEMBL9909253

N#Cc1ccc(-c2c(Cl)cnc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.55
SLC22A12 Q96S37 3/20 0.42
KDM4C Q9H3R0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAP3K8 P41279 1/20 0.37
TNF P01375 1/20 0.37
ALK Q9UM73 1/20 0.37
EIF4EBP1 Q13541 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RXRA P19793 1/20 0.35
RARG P13631 1/20 0.35
S1PR3 Q99500 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL9925422 0.89 HTR5A (0.60) HTR5ASLC22A12MAP3K8TNFEGLN1
SCHEMBL9925448 0.88 HTR5A (0.52) HTR5AMRGPRX4TNFEGLN1CYP11B1
SCHEMBL9909288 0.86 HTR5A (0.77) HTR5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL9907497 0.85 HTR5A (0.72) HTR5AKDM4C
SCHEMBL9909265 0.84 PDE5A (0.42) HTR5ASLC22A12MRGPRX4EIF4EBP1EGLN1
SCHEMBL9907599 0.83 HTR5A (0.58) HTR5AMRGPRX4
SCHEMBL9909267 0.83 SLC22A12 (0.52) HTR5ASLC22A12KDM4CMRGPRX4MAP4K4
SCHEMBL12875061 0.83 HTR5A (0.64) HTR5ATNFPIK3CAPIK3CBMTOR
SCHEMBL9907494 0.82 HTR5A (0.55) HTR5AMAP4K4SMN1; SMN2
SCHEMBL9907603 0.80 HTR5A (0.55) HTR5ASLC22A12

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885SLC22A12 1751/4885KDM4C 1366/4885

“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.