SCHEMBL1277336

SCHEMBL1277336

C/C(=C\c1c(F)cccc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
ESRRG P62508 2/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL1278001 0.92 F10 (0.41) F10ALDH1A1F2PRSS1KCNH2
SCHEMBL1277374 0.87 F10 (0.40) F10F2PRSS1KCNH2FYN
SCHEMBL1277277 0.81 BACE1 (0.40) F10ABCG2PRSS1
SCHEMBL1277250 0.80 F10 (0.37) F10MAPTALDH1A1KDM4E
SCHEMBL1277265 0.77 DHODH (0.39) F10ESR1FYNUSP7
SCHEMBL1277388 0.77 F10 (0.36) F10ALDH1A1ESR1CYP3A4KDM4E
SCHEMBL1603759 0.76 HNF4A (0.41) F10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1277288 0.76 ALDH1A1 (0.44) F10ABCG2ALDH1A1KMT2AESR1
SCHEMBL1277164 0.76 BACE1 (0.38) F10MAPTALDH1A1KMT2AESR1
SCHEMBL1277249 0.76 F10 (0.36) F10ABCG2MAPTF2PRSS1

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 4727/4885ABCG2 813/4885MAPT 3952/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885ABCG2 813/4885MAPT 3952/4885

“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.