SCHEMBL5154248

SCHEMBL5154248

CCN(CC)c1ccc(N)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PSMD14 O00487 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S100B P04271 1/20 0.35
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL19648601 0.88 PSMD14 (0.36) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL5154371 0.85 SLC29A1 (0.35) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL24716527 0.67 ALDH1A1 (0.31) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL3079941 0.64
SCHEMBL11696517 0.64 ALOX5 (0.36) ALDH1A1TSHR
SCHEMBL5859300 0.64
SCHEMBL84280 0.60 ALDH1A1 (0.41) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL10438467 0.59 ALDH1A1 (0.32) ALDH1A1PSMD14CYP3A4TSHRMAPK1
Fluoride SCHEMBL28515671 0.59 ALDH1A1 (0.40) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL8467252 0.59 ALDH1A1 (1.00) ALDH1A1PSMD14CYP3A4TSHRMAPK1

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
WO-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 WO disclosed
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 ALDH1A1 782/4885PSMD14 1154/4885CYP3A4 875/4885

“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.