SCHEMBL13192092

SCHEMBL13192092

FC(F)(F)c1ccc(CNc2ncnc3ccc(Cl)cc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.78
EGFR P00533 3/20 0.62
CNR2 P34972 4/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.60
PDE5A O76074 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP10 Q14694 1/20 0.59
PIK3C3 Q8NEB9 1/20 0.59
USP13 Q92995 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
NR2F2 P24468 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL9921508 0.88 HTT (0.74) CNR1EGFRCNR2HTTLMNA
SCHEMBL17557720 0.88 CNR1 (1.00) CNR1CNR2
SCHEMBL13192048 0.84 HTT (0.61) CNR1EGFRCNR2HTTLMNA
SCHEMBL13192093 0.83 EGFR (0.67) CNR1EGFRCNR2HTTLMNA
SCHEMBL13192081 0.83 HTT (0.64) CNR1EGFRCNR2HTTLMNA
SCHEMBL9921364 0.83 LMNA (0.72) CNR1EGFRCNR2HTTLMNA
SCHEMBL9921356 0.82 MEN1 (0.65) CNR1EGFRCNR2HTTMEN1
SCHEMBL9921341 0.81 USP10 (0.84) CNR1EGFRCNR2HTTLMNA
SCHEMBL7500991 0.81 PDE5A (0.67) CNR1EGFRCNR2HTTMEN1
SCHEMBL8862837 0.79 PDE5A (0.64) CNR1EGFRCNR2HTTMEN1

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 CNR1 3419/4885EGFR 2099/4885CNR2 3654/4885

“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.