SCHEMBL1277376

SCHEMBL1277376

C/C(=C\c1c(Br)cccc1Br)C(=O)NC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.35
HDAC1 Q13547 1/20 0.33
SLC9A1 P19634 2/20 0.33
SLC9A3 P48764 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
MAOB P27338 1/20 0.32
PARP1 P09874 1/20 0.31
ERN1 O75460 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
DHODH Q02127 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PLK4 O00444 1/20 0.30

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
SCHEMBL1277374 0.85 F10 (0.40) F10PRSS1
SCHEMBL1277255 0.83 HSD11B1 (0.40) F10HDAC1CA1CA2CA4
SCHEMBL8375706 0.79 SLC9A1 (0.54) F10SLC9A1SLC9A3SLC9A2PARP1
SCHEMBL8375716 0.79 SLC9A1 (0.54) F10SLC9A1SLC9A3SLC9A2PARP1
SCHEMBL5426994 0.78 AKR1C3 (0.55) HDAC1SLC9A1SLC9A3SLC9A2NPC1
SCHEMBL5426989 0.78 AKR1C3 (0.55) HDAC1SLC9A1SLC9A3SLC9A2NPC1
SCHEMBL1278001 0.77 F10 (0.41) F10ALDH1A1PRSS1
SCHEMBL1277291 0.77 SLC9A3 (0.45) F10SLC9A1SLC9A3NPC1RAB9A
SCHEMBL1277382 0.76 KMT2A (0.40) HDAC1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1277250 0.76 F10 (0.37) F10ALDH1A1

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 F10 4727/4885HDAC1 638/4885SLC9A1 4/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885HDAC1 638/4885SLC9A1 4/4885

“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.