SCHEMBL9907709

SCHEMBL9907709

COC(=O)c1ccc2c(C(F)(F)F)cnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.49
NOTUM Q6P988 1/20 0.45
NR1H2 P55055 3/20 0.44
RORC P51449 1/20 0.41
MAPT P10636 1/20 0.41
NR1H3 Q13133 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
P4HB P07237 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL9907517 0.87 HTR5A (0.63) HTR5AKDM4EALDH1A1HTT
SCHEMBL9907720 0.86 HTR5A (0.53) HTR5ARORC
SCHEMBL9907628 0.85 HTR5A (0.67) HTR5ANOTUMNR1H2NR1H3KDM4E
SCHEMBL9907625 0.84 HTR5A (0.51) HTR5ANOTUMKDM4EALDH1A1HTT
SCHEMBL9107379 0.83 HTR5A (0.54) HTR5AKDM4EALDH1A1HTT
SCHEMBL9105434 0.83 HTR5A (0.66) HTR5AKDM4EALDH1A1HTT
SCHEMBL9107764 0.83 HTR5A (0.53) HTR5AALDH1A1HTT
SCHEMBL9907680 0.83 HTR5A (0.50) HTR5AMAPTMRGPRX4KDM4EALDH1A1
SCHEMBL9907707 0.82 HTR5A (0.49) HTR5AKDM4EALDH1A1HTT
SCHEMBL9907740 0.82 HTR5A (0.49) HTR5ANR1H2NR1H3MRGPRX4P4HB

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 3 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
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 1/4885NOTUM 1086/4885NR1H2 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.