SCHEMBL13799028

SCHEMBL13799028

N#CC(=O)Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
MAOB P27338 1/20 0.43
SLC1A1 P43005 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
MAPK8 P45983 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 1/20 0.42
MIF P14174 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42

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
SCHEMBL6864466 0.79 TAAR1 (0.50) NR4A2MAOBSLC1A1TAAR1NPC1
SCHEMBL8141233 0.78 MEN1 (0.55) NR4A2MAOBTAAR1LMNAMAPT
SCHEMBL10172435 0.77 GAA (0.48) RAB9ALMNAHTTSMN1; SMN2KMT2A
SCHEMBL9113 0.77 AKR1B1 (0.58) NR4A2SLC1A1TAAR1LMNAMAPT
SCHEMBL13185331 0.77 FOLH1 (0.37)
SCHEMBL11299966 0.77 MAOB (0.46) NR4A2MAOBSLC1A1RAB9AMEN1
SCHEMBL11299981 0.77 MAOB (0.46) NR4A2MAOBSLC1A1RAB9AMEN1
SCHEMBL955096 0.77 CES1 (0.56) LMNAHTTMEN1KMT2AMAPK1
SCHEMBL13185333 0.76 FFAR1 (0.42) LMNAMAPK8
SCHEMBL1149255 0.76 TAAR1 (0.47) NR4A2SLC1A1TAAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163591-A1 USE OF SUGAR PHOSPHATES, SUGAR PHOSPHATE ANALOGS, AMINO ACIDS AND/OR AMINO ACID ANALOGS FOR MODULATING THE GLUCOLYSIS-ENZYME COMPLEX, THE MALATE ASPARATE SHUTTLE AND/OR THE TRANSAMINASES EIGENBRODT ERICH 2009-06-25 US disclosed
US-20090163591-A1 USE OF SUGAR PHOSPHATES, SUGAR PHOSPHATE ANALOGS, AMINO ACIDS AND/OR AMINO ACID ANALOGS FOR MODULATING THE GLUCOLYSIS-ENZYME COMPLEX, THE MALATE ASPARATE SHUTTLE AND/OR THE TRANSAMINASES EIGENBRODT ERICH 2009-06-25 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 (1 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-20090163591-A1 USE OF SUGAR PHOSPHATES, SUGAR PHOSPHATE ANALOGS, AMINO ACIDS AND/OR AMINO ACID ANALOGS FOR MODULATING THE GLUCOLYSIS-ENZYME COMPLEX, THE MALATE ASPARATE SHUTTLE AND/OR THE TRANSAMINASES G6PD, PDK1, PDK4 NR4A2 3910/4885MAOB 3640/4885SLC1A1 416/4885

“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.