SCHEMBL5151123

SCHEMBL5151123

Nc1ncc(NCCCO)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
NOS1 P29475 1/20 0.35
FYN P06241 3/20 0.34
CDK1 P06493 3/20 0.33
CDK2 P24941 3/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RCE1 Q9Y256 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ILK Q13418 1/20 0.33
PLK4 O00444 2/20 0.33
AURKA O14965 2/20 0.33
ROCK2 O75116 2/20 0.33
PRKD3 O94806 2/20 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
SCHEMBL5492793 0.89 NOS1 (0.38) CYP1A2SMN1; SMN2NOS1CDK1CDK2
SCHEMBL5154150 0.72 GLA (0.34) NOS1CDK1KDM4EALDH1A1CHEK1
SCHEMBL5154133 0.71 NUDT1 (0.42) NUDT1CYP1A2SMN1; SMN2FYNCDK1
SCHEMBL5154291 0.70 NUDT1 (0.41) NUDT1CYP1A2SMN1; SMN2FYNCDK1
SCHEMBL24072411 0.70
SCHEMBL5481073 0.67 SYK (0.42) CYP1A2SMN1; SMN2MKNK1KDM4EALDH1A1
SCHEMBL5156822 0.67 NUDT1 (0.38) NUDT1CYP1A2SMN1; SMN2FYNPOLB
SCHEMBL5150881 0.67 ALDH1A1 (0.40) NUDT1SMN1; SMN2CDK1CDK2KDM4E
SCHEMBL5157195 0.64 CYP1A2 (0.43) NUDT1CYP1A2FYNCDK1CDK2
SCHEMBL30417616 0.64 NUDT1 (0.54) NUDT1CYP1A2FYNPOLBRAD52

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 940/4885SMN1; SMN2 4850/4885

“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.