SCHEMBL5036258

SCHEMBL5036258

CCN(CCO)c1cc2oc(N)nc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.34
HTT P42858 1/20 0.34
MKNK1 Q9BUB5 1/20 0.32
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
PSMD14 O00487 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL5041139 0.92
SCHEMBL5039495 0.75 PDE3B (0.36) SLC29A1HTTSTK4STK3PSMD14
SCHEMBL5041342 0.73 SLC29A1 (0.34) SLC29A1HTTSTK4STK3PSMD14
SCHEMBL5039687 0.72 SLC29A1 (0.36) SLC29A1HTTMKNK1PSMD14NPC1
SCHEMBL5039487 0.71
SCHEMBL12192588 0.70 PNP (0.38) SLC29A1HTTPSMD14NPC1MITF
SCHEMBL5041481 0.70 SLC29A1 (0.34) SLC29A1HTTMKNK1
SCHEMBL5039501 0.67 CYP2D6 (0.40) MAPTKMT2A
SCHEMBL5039413 0.66 MAPT (0.36) MAPT
SCHEMBL5036704 0.66 SLC29A1 (0.35) SLC29A1HTTMKNK1PSMD14NPC1

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
CN-1917849-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-21 CN disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B SLC29A1 4838/4885HTT 2883/4885MKNK1 1140/4885

“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.