SCHEMBL5894809

SCHEMBL5894809

CCNc1ccc(N)c2n[n+]([O-])ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
PLEC Q15149 1/20 0.35
LMNA P02545 1/20 0.35
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL5894699 0.88 KDM4E (0.35) IDO1KDM4EALDH1A1GAAMAPT
SCHEMBL5894464 0.84 MAPT (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL5894834 0.83 PRKCI (0.30) IDO1
SCHEMBL5894791 0.76 HSP90AA1 (0.33) IDO1
SCHEMBL5894356 0.74 IDO1 (0.39) IDO1KDM4EALDH1A1GAAMAPT
SCHEMBL5894597 0.74 LMNA (0.38) IDO1KDM4EALDH1A1GAAMAPT
SCHEMBL5894639 0.74 IDO1 (0.38) IDO1KDM4EALDH1A1GAAMAPT
SCHEMBL5894740 0.74 MAPT (0.38) ALDH1A1MAPT
SCHEMBL5894026 0.73 PRKCI (0.30)
SCHEMBL5894431 0.73 KDM4E (0.38) IDO1KDM4EALDH1A1GAAMAPT

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 1240/4885KDM4E 571/4885ALDH1A1 385/4885

“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.