SCHEMBL3013394

SCHEMBL3013394

CCOC(=O)CNc1ccc(OC)nc1Nc1ccc2c(c1)CCC(N(Cc1cc3c(cn1)OCCO3)C(=O)OC(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.34
SYK P43405 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CLK1 P49759 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3669003 0.93 KCNH2 (0.35) KCNH2
SCHEMBL3025535 0.79 KCNH2 (0.39) KCNH2
SCHEMBL3016687 0.77 KCNH2 (0.37) KCNH2ALDH1A1MAPTRAB9A
SCHEMBL3016694 0.77 KCNH2 (0.37) KCNH2ALDH1A1MAPTRAB9A
SCHEMBL3666877 0.76 NR1H2 (0.34) KCNH2
SCHEMBL3020655 0.75 MCHR1 (0.34) KCNH2
SCHEMBL3015803 0.71 PIK3CA (0.34) SYK
SCHEMBL3020688 0.69 KDM4C (0.38)
SCHEMBL3670277 0.68 KCNH2 (0.32) KCNH2SYK
SCHEMBL3024834 0.66 KCNH2 (0.47) KCNH2

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
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885SYK 4186/4885ALDH1A1 4306/4885

“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.