SCHEMBL4259574

SCHEMBL4259574

CCCCOc1nc(NCCc2ccccc2)nc2ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.50
▸ BCHE P06276 4/20 0.49
▸ ACHE P22303 4/20 0.49
▸ TLR8 Q9NR97 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4260028 0.82 APP (0.47) APPBCHEACHEPDE4APDE4B
SCHEMBL4269570 0.81 APP (0.46) APPBCHEACHEPDE4APDE4B
SCHEMBL4259572 0.75 HRH4 (0.42) TLR8TLR7MEN1KMT2AADORA2A
SCHEMBL4260026 0.73 HRH4 (0.41) TLR8TLR7TSHRNFKB1NFKB2
SCHEMBL4269566 0.72 TSHR (0.41) TLR8TLR7MEN1ALDH1A1LMNA
SCHEMBL4274502 0.70 LMNA (0.41) TLR8TLR7MEN1LMNAMAPT
SCHEMBL22101791 0.70 TSHR (0.41) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL4260830 0.70 F2 (0.50) APPBCHEMEN1GAAMAPT
SCHEMBL4260835 0.69 NFKB1 (0.57) APPMEN1ALDH1A1LMNAMAPT
SCHEMBL4260015 0.69 HTT (0.52) APPMEN1LMNAKMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors LU ZHIMIN 2009-03-26 — — US claimed
US-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors LU ZHIMIN 2009-03-26 — — US disclosed
CN-101269077-A Use of NF-kB inhibitors for treating retroviral infections ZHIMIN LU (CN) 2008-09-24 — — CN disclosed
CN-100418532-C NF-kB compound inhibitor for treating various diseases ZHIMIN LU (CN) 2008-09-17 — — CN disclosed
CN-101239056-A Use of NF-kB inhibitors for treating various diseases ZHIMIN LU (CN) 2008-08-13 — — CN disclosed
CN-1709259-A Use of NF-kB inhibitors in the treatment of various diseases LU ZHIMIN (CN) 2005-12-21 — — CN 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-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors RELA, NFKBIA, NFKB1 APP 3608/4885BCHE 1675/4885ACHE 3264/4885

“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.

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