SCHEMBL5894429

SCHEMBL5894429

COc1c(OC)c(N)c2c(C)[n+]([O-])ccc2c1N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5894372 0.70 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5894391 0.69 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5894619 0.68 KDM4E (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5894578 0.68 KDM4E (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1003702 0.67 ACHE (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5894620 0.66 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL317432 0.66 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL5894365 0.65 PDE4A (0.31)
SCHEMBL5894571 0.65 EP300 (0.32)
SCHEMBL5894636 0.65 HSP90AA1 (0.44) KDM4EALDH1A1SMN1; SMN2

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 385/4885SMN1; SMN2 4539/4885

“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.