SCHEMBL6284041

SCHEMBL6284041

CN(CC(O)C(O)C(O)C(O)CO)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TOP1 P11387 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
PSMD14 O00487 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
EGFR P00533 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AOC3 Q16853 4/20 0.33
USP2 O75604 2/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
MEN1 O00255 1/20 0.31
ALPL P05186 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
SCHEMBL6290851 0.82 S100B (0.44) TDP1ALDH1A1CYP3A4TOP1L3MBTL1
SCHEMBL6290285 0.79 POLB (0.33) ALDH1A1TOP1EGFRUSP2MEN1
SCHEMBL5373968 0.78 TDP1 (0.46) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL6290250 0.76 EP300 (0.32) TOP1LMNAEGFRAOC3MEN1
SCHEMBL6290815 0.75 ROCK2 (0.34) ALDH1A1MAPK1L3MBTL1TSHREGFR
SCHEMBL5387486 0.75 ALDH1A1 (0.43) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL27291406 0.72 LMNA (0.58) TDP1TOP1L3MBTL1LMNAKDM4E
SCHEMBL25934670 0.72 LMNA (0.58) TDP1TOP1L3MBTL1LMNAKDM4E
SCHEMBL21901457 0.72 LMNA (0.58) TDP1TOP1L3MBTL1LMNAKDM4E
SCHEMBL27291420 0.72 LMNA (0.58) TDP1TOP1L3MBTL1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US claimed
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US claimed
US-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent L'OREAL S.A. (FR) 2003-08-28 US claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 US claimed
US-6890362-B2 Oxidation dyeing composition for keratinous fibers and dyeing method using same L'OREAL, S.A. (FR) 2005-05-10 US disclosed
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US disclosed
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US disclosed
US-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent L'OREAL S.A. (FR) 2003-08-28 US disclosed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US disclosed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 US 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 (5 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-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent KRT18, CDC73, DAO TDP1 1248/4885ALDH1A1 383/4885CYP3A4 364/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 TDP1 1427/4885ALDH1A1 139/4885CYP3A4 531/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 TDP1 623/4885ALDH1A1 361/4885CYP3A4 577/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 TDP1 2290/4885ALDH1A1 477/4885CYP3A4 1112/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 TDP1 943/4885ALDH1A1 321/4885CYP3A4 562/4885

“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.