SCHEMBL891245

SCHEMBL891245

NCCn1c(=O)[nH]c2ccc(C(=O)NCCO)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
GAA P10253 5/20 0.46
HSD17B10 Q99714 5/20 0.46
GLA P06280 4/20 0.46
B3GNT2 Q9NY97 1/20 0.44
TP53 P04637 2/20 0.44
CASP1 P29466 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
PLD1 Q13393 3/20 0.43
PLD2 O14939 2/20 0.43
MAPT P10636 2/20 0.42
HTR3A P46098 1/20 0.41
TERT O14746 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL891000 0.89 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891135 0.87 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891547 0.87 B3GNT2 (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891057 0.86 MAPT (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891255 0.86 B3GNT2 (0.44) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891194 0.85 GAA (0.60) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891491 0.84 ALDH1A1 (0.56) KDM4EALDH1A1GAAGLAB3GNT2
SCHEMBL891054 0.82 B3GNT2 (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL891385 0.81 B3GNT2 (0.51) KDM4EALDH1A1HPGDHSD17B10B3GNT2
SCHEMBL1064027 0.81 B3GNT2 (0.65) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 KDM4E 3912/4885ALDH1A1 4789/4885HPGD 1644/4885

“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.