SCHEMBL1277262

SCHEMBL1277262

C/C(=C\c1ccccc1-c1cccc(C#N)c1)C(=O)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.39
HPGDS O60760 1/20 0.37
CHRM3 P20309 1/20 0.36
ABL1 P00519 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
XDH P47989 1/20 0.34
MAOB P27338 1/20 0.34
KAT6A Q92794 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
LRRK2 Q5S007 2/20 0.34
F10 P00742 1/20 0.34
NAMPT P43490 1/20 0.34
FBP1 P09467 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TNF P01375 1/20 0.34
CSF1R P07333 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1277389 0.84 BAZ2B (0.38) HPGDSCHRM3ABL1IKBKBF10
SCHEMBL1277529 0.83 BAZ2B (0.44) ABL1F10CSF1RCLK4
SCHEMBL1277360 0.83 F10 (0.40) F10CLK4
SCHEMBL1277606 0.82 NR1H4 (0.41) F10
SCHEMBL1277284 0.81 KMT2A (0.35) F10
SCHEMBL1277281 0.81 APP (0.43) F10
SCHEMBL1277229 0.80 HDAC8 (0.45) F10
SCHEMBL1277762 0.80 ERN1 (0.42) F10
SCHEMBL1277133 0.79 F10 (0.37) ABL1F10
SCHEMBL1277380 0.79 CHUK (0.47) IKBKBCHUKF10USP2CYP1A2

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 ADRA2C 1147/4885HPGDS 1347/4885CHRM3 2240/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 ADRA2C 1147/4885HPGDS 1347/4885CHRM3 2240/4885

“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.