SCHEMBL5894653

SCHEMBL5894653

Nc1ccc(N(CCO)CCO)c2cc[n+]([O-])[n+]([O-])c12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL5894148 0.89 NSD2 (0.37) NSD2NCOA1NCOA3
SCHEMBL5894289 0.81 NSD2 (0.35) NSD2NCOA1NCOA3
SCHEMBL5894805 0.76 NSD2 (0.36) NSD2NCOA1NCOA3
SCHEMBL5894767 0.76 NSD2 (0.43) NSD2NCOA1NCOA3
SCHEMBL5894784 0.76 NSD2 (0.35) NSD2NCOA1NCOA3
SCHEMBL5894613 0.75 NSD2 (0.33) NSD2NCOA1NCOA3
SCHEMBL5894349 0.75 NSD2 (0.33) NSD2NCOA1NCOA3
SCHEMBL5894242 0.75 NSD2 (0.35) NSD2NCOA1NCOA3
SCHEMBL5894708 0.74
SCHEMBL5894561 0.73 NSD2 (0.34) NSD2NCOA1NCOA3

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 NSD2 284/4885NCOA1 1551/4885NCOA3 1410/4885

“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.