SCHEMBL17810049

SCHEMBL17810049

O=[N+]([O-])c1ccc2c(c1)-c1cccc3c4ccccc4n(c13)-c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.51
S100A4 P26447 2/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 4/20 0.47
HSP90AA1 P07900 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
PDE4A P27815 1/20 0.40

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
SCHEMBL17809994 1.00 PTPRC (0.51) PTPRCS100A4BCHEACHECES1
SCHEMBL17810030 0.92 MAPT (0.52) PTPRCS100A4BCHEACHECES1
SCHEMBL17810069 0.92 MAPT (0.49) PTPRCS100A4BCHEACHECES1
SCHEMBL17810078 0.90 MAPT (0.52) PTPRCS100A4BCHEACHECES1
SCHEMBL17810067 0.85 MAPT (0.47) PTPRCS100A4BCHEACHECES1
SCHEMBL18645183 0.83 ALDH1A1 (0.41) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL17809832 0.80 DUSP3 (0.50) MAPTHSP90AA1IDO1TDO2IDO2
SCHEMBL17810063 0.77 PTPRC (0.44) PTPRCS100A4MAPTCDK5CDK5R1
SCHEMBL17810076 0.77 PTPRC (0.44) PTPRCS100A4MAPTCDK5CDK5R1
SCHEMBL17810042 0.77 DUSP3 (0.40) S100A4IDO1TDO2IDO2MEN1

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
US-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 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-20160163998-A1 ORGANIC ELECTROLUMINESCENCE EML4, ODC1, NDC1 PTPRC 1457/4885S100A4 1209/4885BCHE 3171/4885

“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.