SCHEMBL3538788

SCHEMBL3538788

COc1ccc(C(C)NCc2ccn(Cc3ccccc3)c(=O)c2O)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 10/20 0.82
EGLN1 Q9GZT9 10/20 0.82
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
CASR P41180 1/20 0.42
PKM P14618 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL271606 0.90 EGLN1 (1.00) VEGFAEGLN1CYP2D6TP53CASR
SCHEMBL272200 0.90 EGLN1 (1.00) VEGFAEGLN1CYP2D6TP53CASR
SCHEMBL272319 0.83 VEGFA (0.75) VEGFAEGLN1MAPTTP53LMNA
SCHEMBL17340673 0.75 EGLN1 (0.71) VEGFAEGLN1CASRMEN1KMT2A
SCHEMBL23992068 0.74 CASR (0.70) MAPTLMNACASRPKMPLA2G1B
SCHEMBL12603184 0.74 CASR (0.70) MAPTLMNACASRPKMPLA2G1B
SCHEMBL16186450 0.74 CASR (0.70) MAPTLMNACASRPKMPLA2G1B
SCHEMBL272502 0.73 EGLN1 (0.71) VEGFAEGLN1CYP2D6TP53MEN1
SCHEMBL272670 0.73 EGLN1 (0.88) VEGFAEGLN1CYP2D6TP53LMNA
SCHEMBL14900099 0.73 EGLN1 (0.69) VEGFAEGLN1CYP2D6TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790748-B2 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones WARNER CHILCOTT COMPANY, LLC (US) 2010-09-07 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-7247648-B2 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY (US) 2007-07-24 US disclosed
US-20050234045-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 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 (2 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-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 VEGFA 2758/4885EGLN1 1060/4885CYP1A2 20/4885
US-20050234045-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 VEGFA 3064/4885EGLN1 1182/4885CYP1A2 27/4885

“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.