SCHEMBL5894029

SCHEMBL5894029

CCNc1ccc(N)c2ccc[n+]([O-])c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
LMNA P02545 2/20 0.35
HSP90AA1 P07900 1/20 0.34
PARP1 P09874 1/20 0.32
KEAP1 Q14145 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5894840 0.88 IDO1 (0.42) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894806 0.83 MAPT (0.42) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894852 0.82 IDO1 (0.34) IDO1MAPTHTTALDH1A1HPGD
SCHEMBL5894168 0.82 MAPT (0.36) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894853 0.80 KDM4E (0.35) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894205 0.79 KDM4E (0.37) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894339 0.78 AOC1 (0.34) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894511 0.76 LMNA (0.34) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894441 0.75 ALDH1A1 (0.40) IDO1MAPTHTTKDM4EGAA
SCHEMBL5894424 0.75 IDO1 (0.40) IDO1MAPTHTTKDM4EGAA

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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 IDO1 1240/4885MAPT 1322/4885HTT 3950/4885

“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.