SCHEMBL2379581

SCHEMBL2379581

CC(N)c1cccc(C(=O)N2C3CCCCC3C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 7/20 0.42
LMNA P02545 1/20 0.39
BIRC3 Q13489 5/20 0.39
BIRC2 Q13490 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
CFD P00746 2/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1829516 1.00 XIAP (0.42) XIAPLMNABIRC3BIRC2ALDH1A1
SCHEMBL1831421 0.82 XIAP (0.41) XIAPLMNABIRC3BIRC2ALDH1A1
SCHEMBL1829349 0.82 XIAP (0.41) XIAPLMNABIRC3BIRC2ALDH1A1
SCHEMBL1829444 0.80 BIRC2 (0.41) XIAPLMNABIRC2KMT2AF10
SCHEMBL1828707 0.80 BIRC2 (0.41) XIAPLMNABIRC2KMT2AF10
SCHEMBL1829728 0.78 POLB (0.42) XIAPLMNABIRC2KMT2AF10
SCHEMBL2379021 0.78 POLB (0.42) XIAPLMNABIRC2KMT2AF10
SCHEMBL9609049 0.77 XIAP (0.48) XIAPBIRC3BIRC2ALDH1A1MEN1
SCHEMBL1829020 0.75 LMNA (0.38) XIAPLMNAALDH1A1MEN1KMT2A
SCHEMBL1828385 0.75 LMNA (0.38) XIAPLMNAALDH1A1MEN1KMT2A

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-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 XIAP 4/4885LMNA 518/4885BIRC3 3/4885

“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.