SCHEMBL4781445

SCHEMBL4781445

Nc1ccc(Oc2ccc(=O)[nH]c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
SCN8A Q9UQD0 5/20 0.37
SCN10A Q9Y5Y9 5/20 0.37
HSPB1 P04792 1/20 0.36
BRD4 O60885 3/20 0.35
CGAS Q8N884 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 2/20 0.32
PDE7A Q13946 2/20 0.32
PARP10 Q53GL7 1/20 0.32
SCN4A P35499 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
SCHEMBL14045202 0.79 SCN8A (0.36) MAPK14SCN8ASCN10AHSPB1CGAS
SCHEMBL21104547 0.78 ALDH1A1 (0.52) MAPK14HSPB1MEN1ALDH1A1MAPT
SCHEMBL4783365 0.77 HSPB1 (0.58) HSPB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL3179628 0.77 ALDH1A1 (0.56) MEN1ALDH1A1MAPTKMT2APARP10
SCHEMBL3024118 0.75 HSPB1 (0.50) MAPK14HSPB1MEN1ALDH1A1MAPT
SCHEMBL31287801 0.75 HSPB1 (0.50) MAPK14HSPB1MEN1ALDH1A1MAPT
SCHEMBL25968454 0.74 MEN1 (0.40) MAPK14HSPB1BRD4MEN1ALDH1A1
SCHEMBL30059265 0.74 MEN1 (0.40) MAPK14HSPB1BRD4MEN1ALDH1A1
SCHEMBL22069681 0.72 MAPT (0.57) MAPK14HSPB1MEN1ALDH1A1MAPT
SCHEMBL15891168 0.72 HSPB1 (0.41) MAPK14HSPB1MEN1ALDH1A1MAPT

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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 MAPK14 209/4885SCN8A 4774/4885SCN10A 4778/4885

“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.