SCHEMBL4269556

SCHEMBL4269556

CCCCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.52
▸ EGFR P00533 3/20 0.48
▸ NR2F2 P24468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ S1PR2 O95136 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CCNC P24863 3/20 0.47
▸ CDK8 P49336 3/20 0.47
▸ CDKN1A P38936 1/20 0.47
▸ CDK19 Q9BWU1 1/20 0.47
▸ CDK1 P06493 3/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ APP P05067 2/20 0.44

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
SCHEMBL4260015 0.99 HTT (0.52) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL4274497 0.93 HTT (0.54) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL4266790 0.88 HTT (0.58) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL4264200 0.82 HTT (0.54) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL4266991 0.81 HTT (0.53) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL4260827 0.81 EGFR (0.62) HTTEGFRNR2F2LMNACCNC
SCHEMBL4264695 0.81 HTT (0.53) HTTEGFRNR2F2SMN1; SMN2LMNA
SCHEMBL157421 0.81 NFKB1 (0.63) HTTEGFRNR2F2LMNACCNC
SCHEMBL29350229 0.81 NFKB1 (0.63) HTTEGFRNR2F2LMNACCNC
SCHEMBL13912334 0.78 EGFR (0.76) HTTEGFRNR2F2SMN1; SMN2LMNA

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 HTT 3989/4885EGFR 4591/4885NR2F2 345/4885

“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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