SCHEMBL4729564

SCHEMBL4729564

CCOc1cc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc(Br)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LRRK2 Q5S007 3/20 0.54
GSK3B P49841 3/20 0.52
RAF1 P04049 5/20 0.52
MAP1LC3B Q9GZQ8 3/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52
ARAF P10398 1/20 0.52

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
SCHEMBL1394752 1.00 NOX4 (0.57) NOX4KMT2AMEN1MAPTALDH1A1
SCHEMBL1395341 0.87 NOX4 (0.69) NOX4KMT2AMEN1MAPTLRRK2
SCHEMBL1395339 0.87 NOX4 (0.69) NOX4KMT2AMEN1MAPTLRRK2
SCHEMBL1395212 0.86 MAP1LC3B (0.69) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL1395209 0.86 MAP1LC3B (0.69) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL1394878 0.84 RAF1 (0.74) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL4729563 0.84 RAF1 (0.74) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL1395238 0.80 LRRK2 (0.61) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL1395237 0.80 LRRK2 (0.61) KMT2AMEN1MAPTLRRK2RAF1
SCHEMBL31084174 0.80 NOX4 (0.57) NOX4LRRK2GSK3BRAF1PSEN1

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
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
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 NOX4 1301/4885KMT2A 1354/4885MEN1 3687/4885

“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.