SCHEMBL17045016

SCHEMBL17045016

CCCCOc1c(F)c(F)c(F)c(C(N)=O)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
HSD17B10 Q99714 1/20 0.41
PARP10 Q53GL7 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC3 O15379 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 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
SCHEMBL17045048 0.88 LTA4H (0.41) LTA4HHSD17B10PARP10CA12CA1
SCHEMBL19471202 0.78 LTA4H (0.47) LTA4HPARP10LMNAMAPTMEN1
SCHEMBL14893048 0.77 CA12 (0.45) HSD17B10PARP10LMNAMAPTMEN1
SCHEMBL17274979 0.72 LTA4H (0.47) LTA4HRECQL
SCHEMBL17275059 0.72 MAPK10 (0.46) LTA4HPARP10LMNAMAPTMEN1
SCHEMBL1583078 0.72 THRA (0.47) TSHR
SCHEMBL17275010 0.72 LMNA (0.47) LTA4HPARP10LMNAMAPTMEN1
SCHEMBL7866685 0.71 LTA4H (0.51) LTA4HMAPTMEN1KMT2A
SCHEMBL17275067 0.71 LMNA (0.43) LTA4HHSD17B10PARP10LMNAMAPT
SCHEMBL9861929 0.70 ESR1 (0.46) TSHR

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-9393235-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-03 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-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 LTA4H 1453/4885HSD17B10 1766/4885PARP10 1891/4885

“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.