SCHEMBL17813730

SCHEMBL17813730

Cc1ccnc(NC(c2ccccc2C)c2ccc3ccc(C)nc3c2O)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
GAA P10253 2/20 0.71
TP53 P04637 3/20 0.71
KDM4E B2RXH2 2/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
MDM2 Q00987 1/20 0.65
P4HB P07237 1/20 0.65

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
SCHEMBL9965576 0.89 P4HB (0.81) MAPTGAATP53KDM4EALDH1A1
SCHEMBL13835966 0.88 MAPT (0.79) MAPTGAATP53KDM4ELMNA
SCHEMBL15700803 0.85 MAPT (0.66) MAPTGAATP53KDM4EMAPK1
SCHEMBL17799220 0.85 MAPT (0.63) MAPTGAATP53KDM4EMAPK1
SCHEMBL2153010 0.84 P4HB (0.82) MAPTGAATP53KDM4ELMNA
SCHEMBL15783130 0.83 MAPT (0.81) MAPTGAATP53KDM4EMAPK1
SCHEMBL2153663 0.83 MAPT (1.00) MAPTGAATP53KDM4EALDH1A1
SCHEMBL9965702 0.82 MAPT (0.73) MAPTGAATP53KDM4EMAPK1
SCHEMBL22750970 0.81 MAPT (0.82) MAPTGAATP53KDM4EALDH1A1
SCHEMBL9965629 0.81 P4HB (0.82) MAPTGAATP53KDM4EMAPK1

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-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 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-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 MAPT 1156/4885GAA 198/4885TP53 184/4885

“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.