SCHEMBL9907460

SCHEMBL9907460

O=C(O)c1cc(F)c2nccc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
DYRK1B Q9Y463 2/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
KDM4A O75164 2/20 0.38
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
KMO O15229 2/20 0.38
HTR5A P47898 2/20 0.38
RORC P51449 2/20 0.37
HCAR1 Q9BXC0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 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
SCHEMBL9907418 0.88 HTR5A (0.41) TTRPTGDR2KDM4AKDM5AKDM4C
SCHEMBL9907427 0.88 RORC (0.39) TTRPTGDR2KDM4AKDM5AKDM4C
SCHEMBL9907461 0.86 PTGDR2 (0.43) TTRPTGDR2KDM4AKDM5AKDM4C
SCHEMBL16151829 0.86 PTGDR2 (0.39) TTRDYRK1BCDK8GSK3AGSK3B
SCHEMBL9907456 0.84 LMNA (0.42) DYRK1BCDK8GSK3AGSK3BCDK9
SCHEMBL9907836 0.82 HTR5A (0.54) HTR5A
SCHEMBL9108194 0.81 HTR5A (0.48) TTRPTGDR2KDM4AKDM5AKDM4C
SCHEMBL9907486 0.80 PTGDR2 (0.38) TTRPTGDR2KDM4AKDM5AKDM4C
SCHEMBL9907471 0.80 PTGDR2 (0.43) TTRPTGDR2KMOHTR5ARORC
Formaldehyde SCHEMBL9108251 0.78 HTR5A (0.46) TTRPTGDR2KDM4AKDM5AKDM4C

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 TTR 3634/4885DYRK1B 4144/4885CDK8 3935/4885

“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.