SCHEMBL5154133

SCHEMBL5154133

Nc1cnc(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
CDK1 P06493 3/20 0.39
KDR P35968 1/20 0.39
FYN P06241 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
P2RY2 P41231 4/20 0.35
CDK2 P24941 2/20 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
LIMK1 P53667 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ILK Q13418 1/20 0.33
PLK4 O00444 1/20 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
SCHEMBL5150717 0.89 KDM4E (0.35) NUDT1CYP1A2CDK1KDRCDK2
SCHEMBL5154301 0.72 MAPK14 (0.36) CDK1CDK2KDM4EALDH1A1
SCHEMBL5151123 0.71 NUDT1 (0.42) NUDT1CYP1A2CDK1KDRFYN
SCHEMBL5156822 0.70 NUDT1 (0.38) NUDT1CYP1A2FYNSMN1; SMN2POLB
SCHEMBL15340962 0.70 P2RY2 (0.36) CDK1KDRP2RY2CDK2LMNA
SCHEMBL5261275 0.67 SMN1; SMN2 (0.39) NUDT1CYP1A2CDK1KDRFYN
SCHEMBL5154291 0.67 NUDT1 (0.41) NUDT1CYP1A2CDK1KDRFYN
SCHEMBL12824314 0.67 HSD17B10 (0.44) NUDT1SMN1; SMN2ALDH1A1
SCHEMBL15341105 0.66 KDR (0.43) KDRSMN1; SMN2LIMK1
SCHEMBL15340877 0.66 SCD (0.37) CYP1A2SMN1; SMN2P2RY2CDK2KDM4E

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.