SCHEMBL5174154

SCHEMBL5174154

CCN(CCO)c1ccc(N)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.35
PSMD14 O00487 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 2/20 0.31
STK4 Q13043 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
SCHEMBL5173255 0.89 GAA (0.34) MAPTGAA
SCHEMBL5172512 0.85 ALDH1A1 (0.41) PSMD14ALDH1A1TDP1CYP3A4TSHR
SCHEMBL5173688 0.78 POLB (0.33) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL28761641 0.75
SCHEMBL4266373 0.69 ALDH1A1 (0.39) PSMD14ALDH1A1TDP1CYP3A4TSHR
SCHEMBL12192588 0.68 PNP (0.38) SLC29A1PSMD14CYP3A4TSHRRECQL
SCHEMBL33593 0.68 ALDH1A1 (0.69) SLC29A1PSMD14ALDH1A1TDP1CYP3A4
SCHEMBL8038944 0.68 ALDH1A1 (0.50) SLC29A1PSMD14ALDH1A1TDP1CYP3A4
SCHEMBL5039495 0.67 PDE3B (0.36) SLC29A1PSMD14MAPTNPC1RAB9A
SCHEMBL16983221 0.67 KMT2A (0.43) SLC29A1PSMD14ALDH1A1TDP1CYP3A4

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-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 SLC29A1 4796/4885PSMD14 1154/4885ALDH1A1 782/4885

“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.