SCHEMBL891000

SCHEMBL891000

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 7/20 0.48
GLA P06280 5/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 1/20 0.41
B3GNT2 Q9NY97 1/20 0.40
PLD2 O14939 2/20 0.39
PLD1 Q13393 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR3A P46098 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL891245 0.89 KDM4E (0.48) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891135 0.88 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL15282242 0.84 MAOB (0.36) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891547 0.81 B3GNT2 (0.48) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891057 0.81 MAPT (0.53) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891255 0.80 B3GNT2 (0.44) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891194 0.79 GAA (0.60) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891491 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EGAAGLATP53
SCHEMBL891054 0.77 B3GNT2 (0.46) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL891385 0.76 B3GNT2 (0.51) ALDH1A1KDM4EHSD17B10HPGDB3GNT2

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 ALDH1A1 4789/4885KDM4E 3912/4885GAA 4591/4885

“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.