SCHEMBL1277330

SCHEMBL1277330

C/C(=C\c1ccc(-c2ccc(O)c(O)c2)cc1)C(=O)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
IAPP P10997 1/20 0.37
PTGS1 P23219 1/20 0.37
APP P05067 2/20 0.37
ALOX5 P09917 3/20 0.37
F10 P00742 1/20 0.36
MAPT P10636 2/20 0.36
EGFR P00533 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERBB2 P04626 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
QDPR P09417 3/20 0.36

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
SCHEMBL1277253 0.89 AR (0.42) F10MAPTKDM4EHSD17B10NPC1
SCHEMBL1277288 0.86 ALDH1A1 (0.44) PTGS1F10EGFRKDM4EMEN1
SCHEMBL1277207 0.85 HSD17B1 (0.42) F10HDAC1
SCHEMBL1277281 0.81 APP (0.43) APPALOX5F10KDM4EAPOBEC3A
SCHEMBL1277423 0.81 F10 (0.44) F10ALDH1A1HPGDHSD17B10NPC1
SCHEMBL1277424 0.81 F10 (0.44) F10ALDH1A1HPGDHSD17B10NPC1
SCHEMBL1708751 0.80 HDAC2 (0.43) F10ALDH1A1NPC1POLBRAB9A
SCHEMBL1277355 0.79 SLC9A3 (0.39) APPF10MAPTMEN1ALDH1A1
SCHEMBL1277382 0.79 KMT2A (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1277307 0.78 RAB9A (0.34) F10ALDH1A1CYP1A2HPGDHSD17B10

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 PPM1B 2007/4885IAPP 1865/4885PTGS1 1091/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 PPM1B 2007/4885IAPP 1865/4885PTGS1 1091/4885

“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.