SCHEMBL1277249

SCHEMBL1277249

C/C(=C\c1cc(O)c(O)cc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.36
HSD17B1 P14061 2/20 0.31
PELI1 Q96FA3 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
FYN P06241 2/20 0.31
USP7 Q93009 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
PRSS1 P07477 2/20 0.30
F2 P00734 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL12709258 0.90 HSD17B1 (0.35) F10HSD17B1PELI1HSD17B10
SCHEMBL1277164 0.90 BACE1 (0.38) F10HSD17B1PELI1HSD17B10KDM4E
SCHEMBL1277392 0.89 HSD17B1 (0.36) F10HSD17B1PELI1HSD17B10FYN
SCHEMBL1277366 0.89 HSD17B1 (0.33) F10HSD17B1PELI1HSD17B10FYN
SCHEMBL1277316 0.87 MGAM (0.39) HSD17B10ABCG2
SCHEMBL1277083 0.86 BAZ2B (0.36) F10HSD17B1PELI1FYN
SCHEMBL1277438 0.86 SLC9A3 (0.40) F10HSD17B1PELI1KDM4EMAPT
SCHEMBL1277265 0.85 DHODH (0.39) F10HSD17B1PELI1FYNUSP7
SCHEMBL1277277 0.85 BACE1 (0.40) F10HSD17B1ABCG2PRSS1
SCHEMBL1277331 0.83 HDAC8 (0.38) PELI1

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 F10 4727/4885HSD17B1 2621/4885PELI1 4376/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885HSD17B1 2621/4885PELI1 4376/4885

“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.