SCHEMBL4260835

SCHEMBL4260835

Nc1ccc2nc(NCCc3ccc(Oc4ccccc4)cc3)ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ APP P05067 1/20 0.43
▸ STAT6 P42226 2/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ FES P07332 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL4260830 0.89 F2 (0.50) NFKB1NFKB2RELAGRIN2BAPP
SCHEMBL4266791 0.85 SMN1; SMN2 (0.45) NFKB1NFKB2RELACA1CA2
SCHEMBL4259572 0.83 HRH4 (0.42) NFKB1NFKB2RELACA1CA2
SCHEMBL4274502 0.83 LMNA (0.41) NFKB1NFKB2RELACA1CA2
SCHEMBL4266993 0.82 POLB (0.40) NFKB1NFKB2RELAAPPSTAT6
SCHEMBL4264697 0.82 MAOB (0.41) NFKB1NFKB2RELACA1CA2
SCHEMBL4260026 0.81 HRH4 (0.41) NFKB1NFKB2RELACA1CA2
SCHEMBL4269566 0.81 TSHR (0.41) NFKB1NFKB2RELACA1CA2
SCHEMBL157421 0.75 NFKB1 (0.63) NFKB1NFKB2RELAAPPLMNA
SCHEMBL29350229 0.75 NFKB1 (0.63) NFKB1NFKB2RELAAPPLMNA

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 NFKB1 3/4885NFKB2 5/4885RELA 1/4885

“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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