SCHEMBL1277083

SCHEMBL1277083

C/C(=C\c1cc(O)c(O)cc1-c1cccc(O)c1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PELI1 Q96FA3 2/20 0.35
HPGDS O60760 5/20 0.34
GRK2 P25098 1/20 0.34
F10 P00742 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
IKBKB O14920 1/20 0.32
ABL1 P00519 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
GRIA2 P42262 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
PIK3CD O00329 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
SCHEMBL12709241 0.91 BAZ2B (0.34) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277257 0.91 BACE1 (0.36) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277235 0.89 HPGDS (0.38) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277362 0.89 HPGDS (0.37) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277389 0.88 BAZ2B (0.38) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277121 0.88 FYN (0.40) PELI1ALDH1A1FYN
SCHEMBL1277441 0.87 SLC9A3 (0.38) BAZ2BBAZ2AHPGDSGRK2HSD17B1
SCHEMBL1277251 0.87 SLC9A3 (0.38) BAZ2BBAZ2APELI1HPGDSGRK2
SCHEMBL1277249 0.86 F10 (0.36) PELI1F10HSD17B1FYN
SCHEMBL1277243 0.86 DHODH (0.39) BAZ2BBAZ2APELI1GRK2HSD17B1

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 BAZ2B 1648/4885BAZ2A 1311/4885PELI1 4376/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 BAZ2B 1648/4885BAZ2A 1311/4885PELI1 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.