SCHEMBL9908006

SCHEMBL9908006

COc1ccc(-c2ncc(F)c3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.47
KDM4E B2RXH2 1/20 0.46
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
GRM2 Q14416 2/20 0.42
ADH5 P11766 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAP4K4 O95819 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL9908007 0.90 HTR5A (0.54) HTR5AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL9907995 0.90 HTR5A (0.54) HTR5AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL9908000 0.89 HTR5A (0.47) HTR5AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL9908044 0.85 HTR5A (0.70) HTR5AGRM2GRM8GRM6CACNA1C
SCHEMBL9907507 0.84 HTR5A (0.57) HTR5AADH5RORCMAPK1MAP4K4
SCHEMBL9908005 0.83 HTR5A (0.51) HTR5AADH5RORCCSNK2A2
SCHEMBL9909195 0.82 HTR5A (0.51) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL9907521 0.81 HTR5A (0.52) HTR5AADH5
SCHEMBL9909285 0.81 SCN9A (0.51) HTR5ARORCLMNAMAPK1HTT
SCHEMBL9907639 0.80 HTR5A (0.70) HTR5ACSNK2A2

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 5 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-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
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 1/4885KDM4E 1474/4885PRKAB2 3158/4885

“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.