SCHEMBL1277366

SCHEMBL1277366

C/C(=C\c1cc(-c2ccc(O)cc2)ccc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.33
F10 P00742 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.33
ERN1 O75460 3/20 0.33
FYN P06241 2/20 0.32
USP7 Q93009 1/20 0.32
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31
PELI1 Q96FA3 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

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
SCHEMBL1277164 0.94 BACE1 (0.38) HSD17B1F10HSD17B10BACE1CYP2C9
SCHEMBL1277392 0.90 HSD17B1 (0.36) HSD17B1F10HSD17B10FYNUSP7
SCHEMBL1277249 0.89 F10 (0.36) HSD17B1F10HSD17B10FYNUSP7
SCHEMBL1277235 0.87 HPGDS (0.38) HSD17B1F10ERN1FYNCYP3A4
SCHEMBL12709258 0.86 HSD17B1 (0.35) HSD17B1F10HSD17B10PELI1
SCHEMBL1277277 0.86 BACE1 (0.40) HSD17B1F10BACE1
SCHEMBL1277443 0.85 HSD17B1 (0.33) HSD17B1ERN1ALOX5MEN1KMT2A
SCHEMBL1277316 0.83 MGAM (0.39) HSD17B10BACE1ERN1APP
SCHEMBL1277257 0.83 BACE1 (0.36) HSD17B1F10BACE1PELI1
SCHEMBL1277438 0.83 SLC9A3 (0.40) HSD17B1F10MEN1KMT2APELI1

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 2621/4885F10 4727/4885HSD17B10 1237/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HSD17B1 2621/4885F10 4727/4885HSD17B10 1237/4885

“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.