SCHEMBL4274502

SCHEMBL4274502

CCCOc1ccc(CCNc2ncc3cc(N)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CASR P41180 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL4259572 0.96 HRH4 (0.42) HRH4HRH3NFKB1NFKB2RELA
SCHEMBL4260026 0.94 HRH4 (0.41) HRH4HRH3NFKB1NFKB2RELA
SCHEMBL4269566 0.93 TSHR (0.41) LMNAHRH4HRH3NFKB1NFKB2
SCHEMBL4266791 0.91 SMN1; SMN2 (0.45) LMNAHSD17B10DHFRHRH4HRH3
SCHEMBL4260830 0.83 F2 (0.50) NFKB1NFKB2RELAMAPTRAB9A
SCHEMBL4264697 0.83 MAOB (0.41) HRH4HRH3NFKB1NFKB2RELA
SCHEMBL4266993 0.83 POLB (0.40) HRH4HRH3NFKB1NFKB2RELA
SCHEMBL4260835 0.83 NFKB1 (0.57) LMNANFKB1NFKB2RELAMAPT
SCHEMBL4274497 0.76 HTT (0.54) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4259574 0.70 APP (0.50) LMNANFKB1NFKB2RELAMAPT

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 LMNA 2716/4885HTT 3989/4885HSD17B10 2352/4885

“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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