SCHEMBL13192087

SCHEMBL13192087

COc1cc(CNc2ncnc3ccc(Cl)cc23)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.65
STAT1 P42224 1/20 0.65
PDE5A O76074 7/20 0.65
LMNA P02545 2/20 0.62
HTT P42858 5/20 0.61
RAF1 P04049 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
EGFR P00533 3/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LCK P06239 1/20 0.54

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
SCHEMBL7500245 0.88 STAT1 (0.83) MAPK1STAT1PDE5ALMNAHTT
SCHEMBL4867391 0.84 EGFR (0.67) MAPK1STAT1PDE5ALMNAHTT
Hydrochloric Acid SCHEMBL27452405 0.84 STAT1 (0.69) MAPK1STAT1PDE5AHTTRAF1
SCHEMBL7500128 0.83 STAT1 (0.67) MAPK1STAT1PDE5ALMNAHTT
Hydrochloric Acid SCHEMBL7502866 0.82 STAT1 (0.66) MAPK1STAT1PDE5ALMNAHTT
SCHEMBL9921508 0.81 HTT (0.74) MAPK1PDE5ALMNAHTTSMN1; SMN2
SCHEMBL7497715 0.79 PDE5A (1.00) PDE5A
SCHEMBL13192081 0.79 HTT (0.64) MAPK1PDE5ALMNAHTTSMN1; SMN2
SCHEMBL7497208 0.79 STAT1 (0.61) MAPK1STAT1PDE5ALMNAHTT
SCHEMBL7544551 0.79 STAT1 (0.61) MAPK1STAT1PDE5AHTTRAF1

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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 MAPK1 310/4885STAT1 2613/4885PDE5A 3288/4885

“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.