SCHEMBL9909162

SCHEMBL9909162

COC(=O)c1ccc2c(Br)cnc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.45
ALPL P05186 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
CSNK2A1 P68400 3/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
KIF11 P52732 1/20 0.35
PDK2 Q15119 1/20 0.35
GAA P10253 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL9909275 0.87 NOTUM (0.40) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL16151819 0.86 NOTUM (0.45) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL9104948 0.86 CSNK2A1 (0.39) NOTUMALPLDYRK1AKDM4EL3MBTL1
SCHEMBL9909284 0.84 NOTUM (0.36) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL9108406 0.79 KDM4E (0.42) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL9909262 0.77 NOTUM (0.39) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL2469383 0.75 NOTUM (0.57) NOTUMALPLKDM4EL3MBTL1LMNA
SCHEMBL9102332 0.75 CA12 (0.46) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL9907482 0.75 DYRK1A (0.47) NOTUMDYRK1AKDM4EL3MBTL1MAPK1
SCHEMBL9909243 0.74 GAA (0.46) NOTUMKDM4EL3MBTL1MAPK1LMNA

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 NOTUM 1086/4885ALPL 3611/4885DYRK1A 3985/4885

“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.