SCHEMBL4301679

SCHEMBL4301679

CCCC(C)c1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
LTB4R2 Q9NPC1 3/20 0.46
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RPS6KB1 P23443 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.40
HNF4A P41235 1/20 0.40
CTSA P10619 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL530128 0.89 BCAT2 (0.56) BCAT2LTB4R2SCN1ASCN2ASCN3A
SCHEMBL4068668 0.82 BCAT2 (0.62) BCAT2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL4560226 0.78 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2RPS6KB1
SCHEMBL4301698 0.78 BCAT2 (0.41) BCAT2MEN1KMT2ARPS6KB1KEAP1
SCHEMBL19575988 0.75 SCN1A (0.48) BCAT2LTB4R2SCN1ASCN2ASCN3A
SCHEMBL132986 0.75 BCAT2 (1.00) BCAT2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL29427545 0.75 BCAT2 (1.00) BCAT2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL16149659 0.75 BCAT2 (0.91) BCAT2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL1003281 0.74 HTT (0.46) BCAT2MEN1KMT2ARPS6KB1KEAP1
Alanine SCHEMBL8916288 0.74 BCAT2 (0.76) BCAT2LTB4R2SCN1ASCN2ASCN3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
US-20140371066-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 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-20140371066-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CAT BCAT2 922/4885LTB4R2 3007/4885SCN1A 181/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 BCAT2 760/4885LTB4R2 2988/4885SCN1A 486/4885

“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.