SCHEMBL9909275

SCHEMBL9909275

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
DYRK1A Q13627 1/20 0.37
CSNK2A1 P68400 4/20 0.37
PARP1 P09874 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL9104948 0.87 CSNK2A1 (0.39) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL9909162 0.87 NOTUM (0.45) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL16151819 0.87 NOTUM (0.45) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL9909284 0.85 NOTUM (0.36) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL9909262 0.81 NOTUM (0.39) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL9108406 0.80 KDM4E (0.42) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL16502686 0.80 NOTUM (0.45) NOTUMKDM4EMAPK1PARP1LMNA
SCHEMBL9106546 0.76 CA12 (0.46) KDM4EL3MBTL1MAPK1DYRK1ACSNK2A1
SCHEMBL9907627 0.76 DYRK1A (0.47) NOTUMKDM4EL3MBTL1MAPK1DYRK1A
SCHEMBL9909243 0.75 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 1086/4885KDM4E 1474/4885L3MBTL1 3654/4885

“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.