SCHEMBL5154769

SCHEMBL5154769

CCN(CC)c1oc(N)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 3/20 0.33
CASP1 P29466 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CLK1 P49759 1/20 0.33
TSHR P16473 4/20 0.32
KCNMA1 Q12791 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP3A4 P08684 2/20 0.31
GLA P06280 1/20 0.31
PSMD14 O00487 1/20 0.31
RECQL P46063 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
SCHEMBL5157895 0.88 KDM4E (0.37) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL5154400 0.84 KDM4E (0.35) KDM4EMEN1KMT2AMAPTCYP11B1
SCHEMBL5157889 0.79 ALDH1A1 (0.37) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL5153532 0.79 GAA (0.37) KDM4EMAPTALDH1A1HTTGAA
SCHEMBL27667453 0.79 KDM4E (0.33) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL5150865 0.73 KDM4E (0.37) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL5153973 0.68 PGK1 (0.38) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL5150825 0.68
SCHEMBL5150653 0.66 SMN1; SMN2 (0.37) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL6052455 0.64 KDM4E (0.47) KDM4EMEN1KMT2AMAPTALDH1A1

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 KDM4E 756/4885MEN1 4871/4885KMT2A 1179/4885

“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.