SCHEMBL4264697

SCHEMBL4264697

C#CCOc1ccc(CCNc2ncc3cc(N)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.41
▸ MAOA P21397 5/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ FCGR3B O75015 1/20 0.35
▸ FCGR1A P12314 1/20 0.35
▸ FCGR2A P12318 1/20 0.35
▸ APP P05067 1/20 0.34
▸ STAT6 P42226 2/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL4266791 0.85 SMN1; SMN2 (0.45) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4259572 0.83 HRH4 (0.42) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4274502 0.83 LMNA (0.41) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4266993 0.83 POLB (0.40) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4260830 0.83 F2 (0.50) MAOBMAOANFKB1NFKB2RELA
SCHEMBL4260835 0.82 NFKB1 (0.57) NFKB1NFKB2RELAFCGR3BFCGR1A
SCHEMBL4260026 0.82 HRH4 (0.41) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4269566 0.81 TSHR (0.41) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4264695 0.76 HTT (0.53) NFKB1NFKB2RELAAPP
SCHEMBL21436684 0.69 APP (0.49) HRH4APP

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 MAOB 4484/4885MAOA 3475/4885ACHE 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.

Send feedback