SCHEMBL5175231

SCHEMBL5175231

Nc1nnc(NCCCO)o1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
ALDH1A1 P00352 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL5174688 0.88 POLB (0.34) POLB
SCHEMBL5171592 0.78 ELANE (0.37) ALDH1A1
SCHEMBL5150994 0.70 NUDT1 (0.42) NUDT1CYP1A2POLBRAD52ALDH1A1
SCHEMBL5154440 0.69 TLR8 (0.39) NUDT1POLBRAD52ALDH1A1KCNH3
SCHEMBL5156568 0.67 NUDT1 (0.42) NUDT1CYP1A2POLBRAD52ALDH1A1
SCHEMBL5154157 0.66 TLR8 (0.39) NUDT1POLBRAD52ALDH1A1KCNH3
SCHEMBL5173346 0.64 CDC7 (0.52)
SCHEMBL13895148 0.64 GAA (0.37) CYP1A2POLBALDH1A1
SCHEMBL5154655 0.61 NUDT1 (0.41) NUDT1CYP1A2POLBRAD52ALDH1A1
SCHEMBL5173335 0.61 NUDT1 (0.38) NUDT1CYP1A2POLBRAD52ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 NUDT1 2854/4885CYP1A2 940/4885POLB 1167/4885

“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.