SCHEMBL5156568

SCHEMBL5156568

Nc1ncc(NCCCO)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
CYP1A2 P05177 1/20 0.40
CDK1 P06493 3/20 0.36
CDK2 P24941 3/20 0.36
FYN P06241 2/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
KDM4D Q6B0I6 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
MAP4K4 O95819 2/20 0.33
ROS1 P08922 2/20 0.33
FGFR1 P11362 2/20 0.33
PHKG2 P15735 2/20 0.33
PRKACA P17612 2/20 0.33
RPS6KB1 P23443 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
SCHEMBL5150714 0.89 KDM4E (0.35) NUDT1CDK1CDK2P2RX3P2RX2
SCHEMBL5174374 0.74 P2RX3 (0.35) CDK1P2RX3P2RX2CHEK1
SCHEMBL23794254 0.73
SCHEMBL5150994 0.71 NUDT1 (0.42) NUDT1CYP1A2CDK1CDK2FYN
SCHEMBL5154655 0.70 NUDT1 (0.41) NUDT1CYP1A2CDK1CDK2FYN
SCHEMBL5175231 0.67 NUDT1 (0.38) NUDT1CYP1A2POLBRAD52ALDH1A1
SCHEMBL12146391 0.64 P2RX3 (0.35) CYP1A2P2RX3P2RX2POLBALDH1A1
SCHEMBL5157195 0.64 CYP1A2 (0.43) NUDT1CYP1A2CDK1CDK2FYN
SCHEMBL5154133 0.64 NUDT1 (0.42) NUDT1CYP1A2CDK1CDK2FYN
SCHEMBL5151123 0.64 NUDT1 (0.42) NUDT1CYP1A2CDK1CDK2FYN

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 940/4885CDK1 1402/4885

“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.