SCHEMBL5154545

SCHEMBL5154545

CCN(CC)c1ccc(N)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
RECQL P46063 2/20 0.40
MAPK1 P28482 2/20 0.40
PSMD14 O00487 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S100B P04271 1/20 0.34
GSK3B P49841 1/20 0.33
MAPT P10636 6/20 0.31
HSD17B10 Q99714 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 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
SCHEMBL5488492 0.75 ALDH1A1 (0.33) ALDH1A1MAPK1CYP3A4TDP1
SCHEMBL4916139 0.68 PSMD14 (0.35) ALDH1A1L3MBTL1RECQLMAPK1PSMD14
SCHEMBL5176209 0.68 POLB (0.33) ALDH1A1MAPTKDM4E
SCHEMBL4913882 0.67 PSMD14 (0.34) ALDH1A1L3MBTL1RECQLMAPK1PSMD14
SCHEMBL4911267 0.66 SLC29A1 (0.34) ALDH1A1L3MBTL1RECQLMAPK1PSMD14
SCHEMBL4910817 0.62 PSMD14 (0.36) ALDH1A1L3MBTL1RECQLMAPK1PSMD14
SCHEMBL5175354 0.61
SCHEMBL20222511 0.59
SCHEMBL5173116 0.59
SCHEMBL4636717 0.58 S100B (0.48) ALDH1A1L3MBTL1RECQLMAPK1PSMD14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 782/4885L3MBTL1 4673/4885RECQL 3251/4885

“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.