SCHEMBL4728586

SCHEMBL4728586

O=C1Nc2ccc(OC(F)(F)F)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.60
RET P07949 1/20 0.57
PLK4 O00444 2/20 0.55
PLK1 P53350 2/20 0.55
LRRK2 Q5S007 5/20 0.55
CES1 P23141 1/20 0.54
KIF15 Q9NS87 2/20 0.53
ULK1 O75385 1/20 0.53
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
EGFR P00533 2/20 0.49
ERBB2 P04626 1/20 0.49
PDGFRB P09619 1/20 0.49
TGM2 P21980 1/20 0.48
AURKA O14965 1/20 0.47
MAP1LC3B Q9GZQ8 3/20 0.46

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
SCHEMBL1394515 1.00 RAF1 (0.60) RAF1RETPLK4PLK1LRRK2
SCHEMBL5083186 0.86 LRRK2 (0.73) RAF1RETPLK4PLK1LRRK2
SCHEMBL1395239 0.86 LRRK2 (0.73) RAF1RETPLK4PLK1LRRK2
SCHEMBL1394877 0.86 RET (0.60) RAF1RETPLK4PLK1LRRK2
SCHEMBL5086182 0.86 RET (0.60) RAF1RETPLK4PLK1LRRK2
SCHEMBL1395409 0.80 LRRK2 (0.76) RAF1PLK4PLK1LRRK2KIF15
SCHEMBL1395411 0.80 LRRK2 (0.76) RAF1PLK4PLK1LRRK2KIF15
SCHEMBL1394501 0.80 LRRK2 (0.70) RAF1RETPLK4PLK1LRRK2
SCHEMBL1394503 0.80 LRRK2 (0.70) RAF1RETPLK4PLK1LRRK2
SCHEMBL1395085 0.78 PLK4 (0.79) RAF1PLK4PLK1LRRK2KIF15

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
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 4132/4885RET 3696/4885PLK4 3482/4885

“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.