SCHEMBL5156822

SCHEMBL5156822

Nc1nnc(NCCCO)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLS O94925 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.32
FYN P06241 1/20 0.32
ILK Q13418 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAD52 P43351 1/20 0.32
SCN9A Q15858 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
SCHEMBL5174001 0.88 F2 (0.34) POLBALDH1A1GLSHTTHSD17B10
SCHEMBL7491690 0.78 ALDH1A1 (0.51) POLBALDH1A1
SCHEMBL24846283 0.77 ALDH1A1 (0.42) POLBALDH1A1GLSSMN1; SMN2HTT
SCHEMBL5493249 0.76 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2HTTHSD17B10
SCHEMBL7487907 0.73 GLS (0.41) POLBALDH1A1GLSHTTHSD17B10
SCHEMBL9031810 0.73 ATM (0.53) ALDH1A1GLSCYP1A2
SCHEMBL10997136 0.72 THRB (0.34) POLBALDH1A1HTTSCN9A
SCHEMBL10993269 0.72 ALDH1A1 (0.32) ALDH1A1GLS
SCHEMBL5154133 0.70 NUDT1 (0.42) NUDT1POLBALDH1A1SMN1; SMN2FYN
SCHEMBL7483655 0.68 ATM (0.56) ALDH1A1GLSSMN1; SMN2HTTCYP1A2

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 2854/4885POLB 1167/4885ALDH1A1 782/4885

“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.