SCHEMBL5153563

SCHEMBL5153563

CN(CCO)c1ccc(N)o1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL5153903 0.80
SCHEMBL5157440 0.78 HTT (0.40) L3MBTL1ALDH1A1MAPT
SCHEMBL5151226 0.78 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL24089693 0.70 S1PR4 (0.42) PRKDCL3MBTL1POLBADORA2AADORA1
SCHEMBL24089694 0.69 GAA (0.54) PRKDCL3MBTL1POLBKDM4EALDH1A1
SCHEMBL6397374 0.67 PRKDC (0.39) PRKDCL3MBTL1POLBKDM4EALDH1A1
SCHEMBL1537864 0.65 ALDH1A1 (0.50) L3MBTL1POLBKDM4EALDH1A1MAPT
SCHEMBL14921136 0.64 ALDH1A1 (0.52) L3MBTL1POLBKDM4EALDH1A1MAPT
SCHEMBL10708113 0.63 POLB (0.32) POLBKDM4EALDH1A1
SCHEMBL5150865 0.62 KDM4E (0.37) PRKDCPOLBKDM4EALDH1A1MAPT

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 7 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
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN 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 PRKDC 228/4885L3MBTL1 4673/4885POLB 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.