SCHEMBL9909262

SCHEMBL9909262

COC(=O)c1ccc2c(F)c(C)nc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
GAA P10253 2/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SDHB P21912 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PARP1 P09874 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
SCHEMBL9909243 0.81 GAA (0.46) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL25311830 0.81 KDM4E (0.40) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL9909275 0.81 NOTUM (0.40) NOTUMGAADYRK1AKDM4EALDH1A1
SCHEMBL9907589 0.79 LCK (0.47) GAADYRK1AKDM4EALDH1A1L3MBTL1
SCHEMBL9104948 0.77 CSNK2A1 (0.39) NOTUMDYRK1AKDM4EALDH1A1L3MBTL1
SCHEMBL16151819 0.77 NOTUM (0.45) NOTUMDYRK1AKDM4EALDH1A1L3MBTL1
SCHEMBL9909162 0.77 NOTUM (0.45) NOTUMGAADYRK1AKDM4EALDH1A1
SCHEMBL9108406 0.77 KDM4E (0.42) NOTUMGAADYRK1AKDM4EALDH1A1
SCHEMBL10211629 0.77 TDP1 (0.46) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL9106640 0.76 LCK (0.48) GAADYRK1AKDM4EALDH1A1LMNA

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 1086/4885GAA 1699/4885DYRK1A 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.