SCHEMBL891288

SCHEMBL891288

NCCn1c(=O)[nH]c2ccc(C(=O)OCC(N)=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.44
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
MAT2A P31153 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL891385 0.83 B3GNT2 (0.51) B3GNT2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1064027 0.81 B3GNT2 (0.65) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL891255 0.79 B3GNT2 (0.44) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL27940210 0.79 B3GNT2 (0.47) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL891256 0.76 B3GNT2 (0.59) B3GNT2KDM4EALDH1A1GAAHPGD
SCHEMBL15282198 0.75 MAOB (0.41) B3GNT2ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL891547 0.75 B3GNT2 (0.48) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL891180 0.75 B3GNT2 (0.48) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL891245 0.74 KDM4E (0.48) B3GNT2KDM4EALDH1A1GAALMNA
SCHEMBL891135 0.74 ALDH1A1 (0.62) B3GNT2KDM4EALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 B3GNT2 2182/4885KDM4E 3912/4885ALDH1A1 4789/4885

“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.