SCHEMBL4266993

SCHEMBL4266993

C=CCOc1ccc(CCNc2ncc3cc(N)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ STAT6 P42226 3/20 0.35
▸ 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
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ APP P05067 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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) ALDH1A1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL4259572 0.83 HRH4 (0.42) NFKB1NFKB2RELASMN1; SMN2HRH4
SCHEMBL4274502 0.83 LMNA (0.41) NFKB1NFKB2RELASMN1; SMN2HRH4
SCHEMBL4264697 0.83 MAOB (0.41) NFKB1NFKB2RELASTAT6HRH4
SCHEMBL4260830 0.83 F2 (0.50) BCHENFKB1NFKB2RELASMN1; SMN2
SCHEMBL4260835 0.82 NFKB1 (0.57) ALDH1A1NFKB1NFKB2RELASTAT6
SCHEMBL4260026 0.82 HRH4 (0.41) NFKB1NFKB2RELAHRH4HRH3
SCHEMBL4269566 0.81 TSHR (0.41) ALDH1A1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL4266991 0.76 HTT (0.53) ALDH1A1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL21436684 0.69 APP (0.49) POLBALDH1A1HRH4APPKDM4E

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 POLB 3160/4885ALDH1A1 1659/4885BCHE 1675/4885

“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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