SCHEMBL12604682

SCHEMBL12604682

[2H]C([2H])([2H])Oc1cc(C(=O)OC)c(N)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
POLB P06746 2/20 0.46
ALDH1A1 P00352 8/20 0.45
GAA P10253 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CFTR P13569 3/20 0.42
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL3899027 0.90 KDM4E (0.77) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL3661768 0.87 KDM4E (0.83) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL23520824 0.83 KDM4E (0.77) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL681252 0.79 KDM4E (0.63) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL31408659 0.78 KDM4E (1.00) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL372600 0.78 KDM4E (1.00) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL15797275 0.77 KDM4E (0.66) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL2900351 0.76 KDM4E (0.82) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL10629350 0.76 KDM4E (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4758833 0.75 KDM4E (0.73) KDM4EPOLBALDH1A1GAAHPGD

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-20110117084-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110117084-A1 VANDETANIB DERIVATIVES KDR, VHL, FLT4 KDM4E 2397/4885POLB 2909/4885ALDH1A1 1741/4885

“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.