SCHEMBL17484099

SCHEMBL17484099

CCCN(CCO)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.48
KCNN4 O15554 1/20 0.48
HTT P42858 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRNA7 P36544 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL27463798 0.84 KCNA5 (0.51) KCNA5KCNN4HTTTRPV1KDM4E
SCHEMBL5608528 0.81 L3MBTL1 (0.49) KCNA5KCNN4HTTTRPV1CHRNB2
SCHEMBL17059858 0.81 KCNA5 (0.46) KCNA5KCNN4HTTTRPV1KDM4E
SCHEMBL10442992 0.78 CNR2 (0.44) HTTKDM4EL3MBTL1MAPTNPSR1
SCHEMBL6834283 0.77 POLB (0.51) KCNA5KCNN4HTTTRPV1CHRNB2
SCHEMBL1432726 0.76 NPSR1 (0.51) KCNA5KCNN4HTTKDM4ECHRNB2
Hydrochloric Acid SCHEMBL6264261 0.76 POLB (0.50) KCNA5KCNN4HTTTRPV1KDM4E
SCHEMBL18929879 0.75 L3MBTL1 (0.46) KCNA5KCNN4HTTTRPV1KDM4E
Hydrochloric Acid SCHEMBL5379321 0.74 KCNA5 (0.51) KCNA5KCNN4HTTTRPV1KDM4E
SCHEMBL10502805 0.73 KCNA5 (0.41) KCNA5KCNN4HTTTRPV1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS GRUENEBERG, Dorre A. 2016-02-04 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-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS ROS1, NOX4, NOX1 KCNA5 3255/4885KCNN4 3446/4885HTT 3023/4885

“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.