SCHEMBL1277347

SCHEMBL1277347

C/C(=C\c1ccc(C(F)(F)F)cc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
KIF11 P52732 4/20 0.35
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
NQO2 P16083 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
IL2 P60568 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
DYRK1A Q13627 1/20 0.32
PLK4 O00444 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKCG P05129 1/20 0.32

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
SCHEMBL1277392 0.86 HSD17B1 (0.36) DYRK1A
SCHEMBL1277265 0.85 DHODH (0.39) NQO2DHODH
SCHEMBL1277438 0.84 SLC9A3 (0.40) KDM4E
SCHEMBL1277249 0.83 F10 (0.36) KDM4E
SCHEMBL1277331 0.81 HDAC8 (0.38)
SCHEMBL1277638 0.81 HDAC8 (0.45) BACE1KDM4ECYP2D6CYP2C9
SCHEMBL12709258 0.81 HSD17B1 (0.35)
SCHEMBL1277277 0.80 BACE1 (0.40) BACE1DHODH
SCHEMBL1277164 0.80 BACE1 (0.38) BACE1KDM4ECYP2C9LCK
SCHEMBL1277366 0.79 HSD17B1 (0.33) BACE1CYP3A4CYP2C9DYRK1AAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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 (2 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 BACE1 4506/4885KIF11 3855/4885DGAT1 548/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 BACE1 4506/4885KIF11 3855/4885DGAT1 548/4885

“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.