SCHEMBL1277362

SCHEMBL1277362

C/C(=C\c1ccc(-c2cccc(O)c2)cc1-c1cccc(O)c1)C(=O)NC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.37
PELI1 Q96FA3 1/20 0.37
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FYN P06241 2/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
SRC P12931 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GRIA2 P42262 1/20 0.34
MAP4K4 O95819 1/20 0.34
GRK2 P25098 1/20 0.34
F10 P00742 1/20 0.34
USP7 Q93009 1/20 0.33

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
SCHEMBL1277251 0.91 SLC9A3 (0.38) HPGDSPELI1HSD17B1HSD17B2BAZ2B
SCHEMBL1277235 0.91 HPGDS (0.38) HPGDSPELI1HSD17B1HSD17B2CYP3A4
SCHEMBL1277243 0.90 DHODH (0.39) PELI1HSD17B1HSD17B2BAZ2BBAZ2A
SCHEMBL1277083 0.89 BAZ2B (0.36) HPGDSPELI1HSD17B1HSD17B2FYN
SCHEMBL1277389 0.89 BAZ2B (0.38) HPGDSPELI1HSD17B1HSD17B2BAZ2B
SCHEMBL12709241 0.87 BAZ2B (0.34) HPGDSPELI1HSD17B1HSD17B2BAZ2B
SCHEMBL1277257 0.87 BACE1 (0.36) HPGDSPELI1HSD17B1HSD17B2BAZ2B
SCHEMBL1277392 0.87 HSD17B1 (0.36) PELI1HSD17B1FYNMAP4K4F10
SCHEMBL1277121 0.84 FYN (0.40) PELI1FYN
SCHEMBL1277250 0.84 F10 (0.37) HPGDSHSD17B1HSD17B2BAZ2BBAZ2A

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 4 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-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 HPGDS 1347/4885PELI1 4376/4885HSD17B1 2621/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HPGDS 1347/4885PELI1 4376/4885HSD17B1 2621/4885

“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.