SCHEMBL4911267

SCHEMBL4911267

CCN(CCO)c1ccc(N)n1N

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.34
PSMD14 O00487 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL4905843 0.89
SCHEMBL4916139 0.86 PSMD14 (0.35) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4908755 0.83 SLC29A1 (0.34) SLC29A1PSMD14ALDH1A1CYP3A4TSHR
SCHEMBL5154598 0.83 SLC29A1 (0.34) SLC29A1PSMD14ALDH1A1CYP3A4TSHR
SCHEMBL5171723 0.74 TSHR (0.38) ALDH1A1CYP3A4TSHRMAPTKMT2A
SCHEMBL4910285 0.73 SLC29A1 (0.36) SLC29A1PSMD14MAPTNPC1MITF
SCHEMBL4908699 0.71
SCHEMBL4913882 0.70 PSMD14 (0.34) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4912764 0.70 SLC29A1 (0.36) SLC29A1PSMD14MAPTNPC1MITF
SCHEMBL4916092 0.67 MAPT (0.36) ALDH1A1MAPT

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-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 SLC29A1 4276/4885PSMD14 828/4885ALDH1A1 420/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 SLC29A1 4276/4885PSMD14 828/4885ALDH1A1 420/4885

“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.