SCHEMBL5080407

SCHEMBL5080407

O=C1Nc2ccc(Cl)cc2/C1=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.67
PSEN1 P49768 3/20 0.67
PSEN2 P49810 3/20 0.67
APH1B Q8WW43 3/20 0.67
NCSTN Q92542 3/20 0.67
APH1A Q96BI3 3/20 0.67
PSENEN Q9NZ42 3/20 0.67
EGFR P00533 1/20 0.63
ERBB2 P04626 1/20 0.63
PDGFRB P09619 1/20 0.63
NOX4 Q9NPH5 1/20 0.54
RAF1 P04049 1/20 0.51
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
TGM2 P21980 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL1395025 1.00 LRRK2 (0.67) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394617 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394615 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394809 0.84 APP (0.64) EGFRERBB2PDGFRBNOX4RAF1
SCHEMBL1394810 0.84 APP (0.64) EGFRERBB2PDGFRBNOX4RAF1
SCHEMBL1395409 0.82 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395411 0.82 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395354 0.80 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6689420 0.80 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3800644 0.80 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN

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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US 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 LRRK2 408/4885PSEN1 12/4885PSEN2 5/4885

“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.