SCHEMBL1277243

SCHEMBL1277243

C/C(=C\c1ccc(F)cc1-c1cccc(O)c1)C(=O)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.39
CHRM3 P20309 1/20 0.35
PELI1 Q96FA3 1/20 0.35
ESRRG P62508 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
PPARG P37231 1/20 0.33
NQO2 P16083 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
MTOR P42345 1/20 0.32
GRK2 P25098 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
SCHEMBL1277362 0.90 HPGDS (0.37) PELI1BAZ2BBAZ2AHSD17B1HSD17B2
SCHEMBL1277251 0.88 SLC9A3 (0.38) PELI1ESRRGBAZ2BBAZ2AHSD17B1
SCHEMBL1277265 0.88 DHODH (0.39) DHODHPELI1NQO2HSD17B1
SCHEMBL1277389 0.86 BAZ2B (0.38) CHRM3PELI1BAZ2BBAZ2AHSD17B1
SCHEMBL1277083 0.86 BAZ2B (0.36) PELI1AKR1C3AKR1C2BAZ2BBAZ2A
SCHEMBL12709241 0.84 BAZ2B (0.34) PELI1ESRRGBAZ2BBAZ2AHSD17B1
SCHEMBL1277257 0.84 BACE1 (0.36) PELI1AKR1C3AKR1C2BAZ2BBAZ2A
SCHEMBL1277235 0.83 HPGDS (0.38) PELI1AKR1C3AKR1C2KDM1AHDAC1
SCHEMBL1277121 0.82 FYN (0.40) PELI1KDM1A
SCHEMBL1277250 0.82 F10 (0.37) CHRM3AKR1C3AKR1C2BAZ2BBAZ2A

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 DHODH 3332/4885CHRM3 2240/4885PELI1 4376/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 DHODH 3332/4885CHRM3 2240/4885PELI1 4376/4885

“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.