SCHEMBL13192094

SCHEMBL13192094

Nc1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.67
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
APP P05067 13/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C19 P33261 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TP53 P04637 1/20 0.64
HIF1A Q16665 1/20 0.64
USP1 O94782 1/20 0.63
WDR48 Q8TAF3 1/20 0.63
USP2 O75604 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL3114782 0.86 PDE5A (0.67) PDE5AMAPTNPSR1APPMEN1
SCHEMBL7493587 0.85 PDE5A (0.69) PDE5AAPPMEN1KMT2AALDH1A1
SCHEMBL7496663 0.82 PDE5A (0.71) PDE5AMAPTNPSR1MEN1KMT2A
SCHEMBL5137740 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL30454922 0.79 MAPT (0.59) PDE5AMAPTNPSR1MEN1KMT2A
SCHEMBL13009791 0.79 APP (1.00) PDE5AMAPTNPSR1APPMEN1
SCHEMBL2453907 0.78 KCNH2 (0.54) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL12120503 0.78 PDE5A (0.55) PDE5AMEN1KMT2AALDH1A1
SCHEMBL14256686 0.76 PDE5A (0.55) PDE5AMAPTNPSR1MEN1KMT2A
SCHEMBL30455233 0.76 MEN1 (0.58) PDE5AMAPTNPSR1APPMEN1

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 PDE5A 3288/4885MAPT 1917/4885NPSR1 4655/4885

“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.