SCHEMBL12435588

SCHEMBL12435588

O=C(CC(=O)On1nnc2cccnc21)On1nnc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
MGLL Q99685 4/20 0.45
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KRAS P01116 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2217546 0.88 FAAH (0.43) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL2295830 0.88 FAAH (0.43) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL23974808 0.88 FAAH (0.49) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL2293707 0.88 FAAH (0.43) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL7012103 0.87 FAAH (0.44) FAAHMGLLLMNAKRASALDH1A1
SCHEMBL12435616 0.87 HPSE (0.45) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL2217398 0.87 HPSE (0.45) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL26599029 0.86 FAAH (0.43) FAAHMGLLLMNAKRASALDH1A1
SCHEMBL9996736 0.84 FAAH (0.45) FAAHMGLLLMNAKDM4EKRAS
SCHEMBL24582801 0.84 FAAH (0.42) FAAHMGLLLMNAKRASALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS MTCL3, BICRA, HMGB3 FAAH 2750/4885MGLL 4839/4885LMNA 4402/4885

“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.