SCHEMBL4266791

SCHEMBL4266791

CCOc1ccc(CCNc2ncc3cc(N)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TERT O14746 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ DHFR P00374 1/20 0.38

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
SCHEMBL4274502 0.91 LMNA (0.41) SMN1; SMN2KMT2AMEN1NPC1PKM
SCHEMBL4259572 0.91 HRH4 (0.42) SMN1; SMN2KMT2AMEN1NPC1PKM
SCHEMBL4260026 0.89 HRH4 (0.41) NPC1PKMCA1CA2CA9
SCHEMBL4269566 0.88 TSHR (0.41) SMN1; SMN2KMT2AMEN1NPC1PKM
SCHEMBL4264697 0.85 MAOB (0.41) CA1CA2CA9NFKB1NFKB2
SCHEMBL4260830 0.85 F2 (0.50) SMN1; SMN2KMT2AMEN1NFKB1NFKB2
SCHEMBL4266993 0.85 POLB (0.40) SMN1; SMN2NFKB1NFKB2RELAALDH1A1
SCHEMBL4260835 0.85 NFKB1 (0.57) KMT2AMEN1LMNACA1CA2
SCHEMBL4266790 0.74 HTT (0.58) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL4857693 0.74 PDE3B (0.45) SMN1; SMN2KMT2AMEN1PKMLMNA

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 SMN1; SMN2 4148/4885KMT2A 1049/4885MEN1 2599/4885

“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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