SCHEMBL9907671

SCHEMBL9907671

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.52
NR1H2 P55055 1/20 0.44
DYRK1A Q13627 1/20 0.44
AR P10275 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
P4HB P07237 1/20 0.40
KIF11 P52732 1/20 0.40
LCK P06239 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL9907650 0.86 NOTUM (0.52) NOTUMNR1H2DYRK1AARLMNA
SCHEMBL9907627 0.82 DYRK1A (0.47) NOTUMDYRK1AKDM4EALDH1A1HTT
SCHEMBL9907709 0.79 HTR5A (0.49) NOTUMNR1H2ARLMNAKDM4E
SCHEMBL16151819 0.79 NOTUM (0.45) NOTUMNR1H2DYRK1AARLMNA
SCHEMBL9907482 0.79 DYRK1A (0.47) NOTUMDYRK1AKDM4EALDH1A1HTT
SCHEMBL9907434 0.79 CSNK2A1 (0.47) NR1H2DYRK1AKDM4EALDH1A1HTT
SCHEMBL16276798 0.77 NOTUM (0.49) NOTUMNR1H2ARLMNAKDM4E
SCHEMBL9909231 0.76 NOTUM (0.57) NOTUMNR1H2LMNAKDM4EALDH1A1
SCHEMBL30864274 0.75 CA1 (0.50) DYRK1ALMNAKDM4EALDH1A1HTT
SCHEMBL2772563 0.73 NOTUM (0.64) NOTUMLMNAKDM4EALDH1A1HTT

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 1086/4885NR1H2 705/4885DYRK1A 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.