SCHEMBL1277698

SCHEMBL1277698

C/C(=C\c1ccccc1-c1ccccc1O)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
F10 P00742 1/20 0.35
CTRC Q99895 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
THRB P10828 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31
RAB9A P51151 1/20 0.31
IAPP P10997 1/20 0.31
NFKB1 P19838 2/20 0.31
JUN P05412 1/20 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
SCHEMBL1708745 0.90 F10 (0.35) MAPTF10KDM4EKMT2AMEN1
SCHEMBL1277150 0.85 DHODH (0.34) F10
SCHEMBL1277281 0.85 APP (0.43) F10KDM4E
SCHEMBL1277699 0.85 F10 (0.37) MAPTLMNAF10
SCHEMBL1708746 0.84 F10 (0.33) F10KLK1KLK5
SCHEMBL1277277 0.84 BACE1 (0.40) F10APEX1
SCHEMBL1277133 0.83 F10 (0.37) F10
SCHEMBL1277523 0.83 MCL1 (0.40) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1277521 0.83 MCL1 (0.40) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1277181 0.83 HSD17B1 (0.39) MAPTLMNAF10KDM4EKMT2A

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 MAPT 3952/4885LMNA 3279/4885F10 4727/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 MAPT 3952/4885LMNA 3279/4885F10 4727/4885

“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.