SCHEMBL3879536

SCHEMBL3879536

Cc1c(O)cccc1NCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
ATAD2 Q6PL18 2/20 0.46
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NCF1 P14598 2/20 0.43
TOP2A P11388 1/20 0.41
CYP2C19 P33261 1/20 0.40
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
IDO1 P14902 1/20 0.39
LTK P29376 1/20 0.39
LIMK1 P53667 1/20 0.39

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
SCHEMBL15956333 0.84 CYP2C19 (0.47) BRD4ATAD2MAPTNCF1CYP2C19
SCHEMBL27681062 0.80 IDO1 (0.51) TP53GAAMAPTMAPK1HSD17B10
SCHEMBL29442601 0.80 MAPT (0.47) BRD4TP53GAAMAPTMAPK1
SCHEMBL453906 0.80 MAPT (0.47) BRD4TP53GAAMAPTMAPK1
SCHEMBL5809523 0.77 MAPT (0.47) BRD4TP53GAAMAPTMAPK1
SCHEMBL5514754 0.76 MAPT (0.44) TP53GAAMAPTMAPK1HSD17B10
SCHEMBL3194480 0.76 MAPT (0.50) TP53GAAMAPTMAPK1HSD17B10
SCHEMBL3879346 0.75 MAPK1 (0.46) TP53GAAMAPTMAPK1HSD17B10
SCHEMBL10803538 0.74 MAPT (0.69) BRD4ATAD2GAAMAPTNCF1
SCHEMBL9273078 0.74 MAPT (0.45) TP53GAAMAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 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 (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-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP BRD4 1150/4885ATAD2 1940/4885TP53 3650/4885

“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.