SCHEMBL1828385

SCHEMBL1828385

CC(N)c1cccc(C(=O)N2CCC(c3ccccc3)C2C(=O)NC2CCc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CASP9 P55211 1/20 0.37
XIAP P98170 1/20 0.37
KMT2A Q03164 2/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNK3 O14649 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1829020 1.00 LMNA (0.38) LMNACASP9XIAPKMT2ASLC5A7
SCHEMBL1829444 0.84 BIRC2 (0.41) LMNAXIAPKMT2ASLC5A7HTT
SCHEMBL1828707 0.84 BIRC2 (0.41) LMNAXIAPKMT2ASLC5A7HTT
SCHEMBL1829349 0.80 XIAP (0.41) LMNAXIAPKMT2AHTTPDE4A
SCHEMBL1831421 0.80 XIAP (0.41) LMNAXIAPKMT2AHTTPDE4A
SCHEMBL1829728 0.78 POLB (0.42) LMNAXIAPKMT2ASLC5A7HTT
SCHEMBL2379021 0.78 POLB (0.42) LMNAXIAPKMT2ASLC5A7HTT
SCHEMBL2379581 0.75 XIAP (0.42) LMNAXIAPKMT2AHTTALDH1A1
SCHEMBL2379573 0.75 AADAT (0.38) CASP9XIAPPSEN1PSEN2APH1B
SCHEMBL1829516 0.75 XIAP (0.42) LMNAXIAPKMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 LMNA 518/4885CASP9 40/4885XIAP 4/4885

“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.