SCHEMBL1277392

SCHEMBL1277392

C/C(=C\c1ccc(-c2ccc(O)cc2)cc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.36
FYN P06241 3/20 0.34
USP7 Q93009 2/20 0.34
F10 P00742 1/20 0.33
PELI1 Q96FA3 1/20 0.33
ALOX5 P09917 1/20 0.32
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC9A3 P48764 2/20 0.31
SLC9A1 P19634 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPRS1 P07814 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL1277438 0.90 SLC9A3 (0.40) HSD17B1F10PELI1MEN1KMT2A
SCHEMBL1277366 0.90 HSD17B1 (0.33) HSD17B1FYNUSP7F10PELI1
SCHEMBL1277265 0.89 DHODH (0.39) HSD17B1FYNUSP7F10PELI1
SCHEMBL1277249 0.89 F10 (0.36) HSD17B1FYNUSP7F10PELI1
SCHEMBL1277443 0.88 HSD17B1 (0.33) HSD17B1ALOX5MEN1KMT2ASLC9A3
SCHEMBL1277331 0.87 HDAC8 (0.38) PELI1MEN1KMT2AESR1ESR2
SCHEMBL1277638 0.87 HDAC8 (0.45) ESR1ESR2HDAC8
SCHEMBL1277362 0.87 HPGDS (0.37) HSD17B1FYNUSP7F10PELI1
SCHEMBL12709258 0.86 HSD17B1 (0.35) HSD17B1F10PELI1SLC9A3SLC9A1
SCHEMBL1277347 0.86 BACE1 (0.36) DYRK1A

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 6 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
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 HSD17B1 2621/4885FYN 3758/4885USP7 3541/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HSD17B1 2621/4885FYN 3758/4885USP7 3541/4885

“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.