SCHEMBL5086209

SCHEMBL5086209

O=C1Nc2ccc(S(=O)(=O)N3CCCC3)cc2/C1=C/c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.62
CASP3 P42574 4/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
CASP9 P55211 1/20 0.60
MAP1LC3B Q9GZQ8 3/20 0.59
LRRK2 Q5S007 3/20 0.59
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
EGFR P00533 1/20 0.59
NTRK1 P04629 1/20 0.59
ARAF P10398 1/20 0.59
PIM1 P11309 1/20 0.59
BRAF P15056 1/20 0.59
CSNK2A1 P68400 1/20 0.59
PIM3 Q86V86 1/20 0.59

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
SCHEMBL1395190 1.00 RAF1 (0.62) RAF1CASP3CASP1CASP7CASP9
SCHEMBL7982417 0.88 CASP3 (0.61) RAF1CASP3CASP1CASP7CASP9
SCHEMBL7982420 0.88 CASP3 (0.61) RAF1CASP3CASP1CASP7CASP9
SCHEMBL3423012 0.86 RAF1 (0.70) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL4780424 0.86 RAF1 (0.70) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL1395330 0.83 RAF1 (0.70) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL1394995 0.83 RAF1 (0.70) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL5775737 0.82 RAF1 (0.69) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL5775734 0.82 RAF1 (0.69) RAF1MAP1LC3BLRRK2PSEN1PSEN2
SCHEMBL7982402 0.80 EGFR (0.58) RAF1CASP3CASP1CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN RAF1 4132/4885CASP3 493/4885CASP1 1680/4885

“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.