SCHEMBL1277263

SCHEMBL1277263

C/C(=C\c1ccccc1-c1ccc(O)cc1Cl)C(=O)NC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.35
ESR1 P03372 7/20 0.34
ESR2 Q92731 5/20 0.34
BACE1 P56817 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
APEX1 P27695 1/20 0.32
F10 P00742 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
MAOB P27338 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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) DHODHBACE1ABCG2F10MEN1
SCHEMBL1277181 0.87 HSD17B1 (0.39) DHODHESR1ESR2BACE1HSD17B1
SCHEMBL1277440 0.86 ESR1 (0.34) DHODHESR1ESR2HSD17B1HSD17B2
SCHEMBL1277277 0.82 BACE1 (0.40) DHODHESR2BACE1HSD17B1ABCG2
SCHEMBL1277698 0.82 MAPT (0.36) APEX1F10MEN1NPC1MAPT
SCHEMBL1277389 0.81 BAZ2B (0.38) BACE1HSD17B1HSD17B2F10
SCHEMBL1277133 0.81 F10 (0.37) DHODHBACE1F10
SCHEMBL19341349 0.80 CA1 (0.43) MEN1NPC1MAPTMAOBRAB9A
SCHEMBL1277154 0.79 SLC6A4 (0.41) DHODHAPEX1F10NPC1RAB9A
SCHEMBL1277150 0.78 DHODH (0.34) DHODHF10

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 3332/4885ESR1 3341/4885ESR2 2447/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 DHODH 3332/4885ESR1 3341/4885ESR2 2447/4885

“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.