SCHEMBL1277277

SCHEMBL1277277

C/C(=C\c1ccccc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.40
F10 P00742 3/20 0.38
HSD17B1 P14061 2/20 0.34
ABL1 P00519 2/20 0.33
ABCB1 P08183 2/20 0.33
BCR P11274 2/20 0.33
MMP9 P14780 1/20 0.33
APEX1 P27695 1/20 0.32
PTPN1 P18031 1/20 0.32
PRSS1 P07477 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
DHODH Q02127 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31

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
SCHEMBL1277160 0.90 SMN1; SMN2 (0.41) F10HSD17B1PRSS1
SCHEMBL1277154 0.89 SLC6A4 (0.41) F10APEX1DHODH
SCHEMBL1277875 0.89 F10 (0.44) F10PRSS1
SCHEMBL1277133 0.89 F10 (0.37) BACE1F10ABL1ABCB1BCR
SCHEMBL1277454 0.89 MKNK1 (0.40) F10PRSS1
SCHEMBL1277231 0.88 F10 (0.39) F10PRSS1DHODHTRPM8
SCHEMBL1277412 0.88 F10 (0.37) BACE1F10APEX1PRSS1
SCHEMBL1277281 0.88 APP (0.43) BACE1F10PRSS1
SCHEMBL1277164 0.87 BACE1 (0.38) BACE1F10HSD17B1ESR2
SCHEMBL1708738 0.86 F10 (0.36) F10APEX1

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 BACE1 4506/4885F10 4727/4885HSD17B1 2621/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 BACE1 4506/4885F10 4727/4885HSD17B1 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.