SCHEMBL1394809

SCHEMBL1394809

O=C1Nc2ccccc2/C1=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.64
MAPT P10636 2/20 0.64
SNCA P37840 2/20 0.64
RAF1 P04049 1/20 0.64
EGFR P00533 3/20 0.60
PDGFRB P09619 3/20 0.60
ERBB2 P04626 2/20 0.60
IGF1R P08069 2/20 0.60
NOX4 Q9NPH5 1/20 0.60
DHFR P00374 1/20 0.60
PLK4 O00444 3/20 0.59
PLK1 P53350 3/20 0.59
RET P07949 1/20 0.59
FLT3 P36888 1/20 0.59
KDR P35968 2/20 0.56
RPS6KA5 O75582 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
LYN P07948 1/20 0.56
MET P08581 1/20 0.56

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
SCHEMBL1394810 1.00 APP (0.64) APPMAPTSNCARAF1EGFR
SCHEMBL7979340 0.89 DHFR (0.77) APPMAPTSNCARAF1EGFR
SCHEMBL7979342 0.89 DHFR (0.77) APPMAPTSNCARAF1EGFR
SCHEMBL5080407 0.84 LRRK2 (0.67) RAF1EGFRPDGFRBERBB2NOX4
SCHEMBL1395025 0.84 LRRK2 (0.67) RAF1EGFRPDGFRBERBB2NOX4
SCHEMBL1395136 0.79 RAF1 (1.00) MAPTRAF1EGFRPDGFRBERBB2
SCHEMBL5082831 0.79 RAF1 (0.73) RAF1EGFRPDGFRBERBB2IGF1R
SCHEMBL5083132 0.79 RAF1 (0.71) APPMAPTSNCARAF1EGFR
SCHEMBL1395134 0.79 RAF1 (1.00) MAPTRAF1EGFRPDGFRBERBB2
SCHEMBL5476173 0.79 RAF1 (0.71) MAPTRAF1EGFRPDGFRBERBB2

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-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US 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 (2 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-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA APP 640/4885MAPT 20/4885SNCA 3/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN APP 24/4885MAPT 9/4885SNCA 2/4885

“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.