SCHEMBL5157889

SCHEMBL5157889

CN(C)c1oc(N)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
KDM4E B2RXH2 12/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 5/20 0.33
MAPT P10636 4/20 0.33
GLA P06280 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
CRHBP P24387 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL5154400 0.82 KDM4E (0.35) KDM4EMAPTGLALMNAMEN1
SCHEMBL5154769 0.79 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5150865 0.78 KDM4E (0.37) ALDH1A1KDM4EMAPK1GAAMAPT
SCHEMBL27667453 0.73 KDM4E (0.33) KDM4EHSD17B10MAPTGLAMEN1
SCHEMBL5157895 0.72 KDM4E (0.37) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL5150825 0.72
SCHEMBL5157183 0.68 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5153973 0.64 PGK1 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5150653 0.62 SMN1; SMN2 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL31171421 0.61 ALDH1A1 (0.45) ALDH1A1KDM4EGAAMAPTLMNA

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 ALDH1A1 782/4885KDM4E 756/4885HPGD 190/4885

“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.