SCHEMBL5894286

SCHEMBL5894286

CCNc1ccc(N)c2c1cnc[n+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
AOC1 P19801 2/20 0.34
AOC3 Q16853 2/20 0.34
IDO1 P14902 2/20 0.33
LMNA P02545 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
SCHEMBL5894339 0.89 AOC1 (0.34) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5894667 0.84 PRKCI (0.32)
SCHEMBL5894836 0.83 KMT2A (0.34) ALDH1A1MAPT
SCHEMBL5894467 0.78 AXL (0.36)
SCHEMBL5894840 0.78 IDO1 (0.42) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5894423 0.75 KDM4E (0.40) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5894507 0.75 AXL (0.30)
SCHEMBL5894806 0.73 MAPT (0.42) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5894553 0.72 KDM4E (0.37) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5894306 0.72 TSHR (0.33) MAPT

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 KDM4E 571/4885ALDH1A1 385/4885GAA 3519/4885

“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.