SCHEMBL2379573

SCHEMBL2379573

CC(N)c1cccc(C(=O)N2CC(c3ccccc3)C2C(=O)NC2CCc3ccccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.38
P2RX7 Q99572 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
XIAP P98170 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CHRM4 P08173 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL1827350 0.86 XIAP (0.40) AADATP2RX7ADORA2AXIAPCNR1
SCHEMBL1828358 0.81 POLB (0.41) AADATP2RX7ADORA2AXIAPBIRC3
SCHEMBL1830520 0.80 XIAP (0.40) AADATP2RX7ADORA2AXIAPPSEN1
SCHEMBL1828385 0.75 LMNA (0.38) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL1829020 0.75 LMNA (0.38) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL1831942 0.74 PSEN1 (0.35) P2RX7KDM1AMAOAMAOBXIAP
SCHEMBL2376729 0.73 PSEN1 (0.35) P2RX7KDM1AMAOAMAOBXIAP
SCHEMBL1831939 0.73 XIAP (0.36) P2RX7KDM1AMAOAMAOBXIAP
SCHEMBL1827942 0.71 CCR5 (0.41)
SCHEMBL1827928 0.70 XIAP (0.39) KDM1AMAOAMAOBXIAPBIRC3

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 AADAT 3161/4885P2RX7 3184/4885KDM1A 2810/4885

“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.