SCHEMBL6094680

SCHEMBL6094680

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccccn3)c2)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.51
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ AKR1B10 O60218 1/20 0.40
▸ FGFR3 P22607 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
SCHEMBL6095611 0.87 NPC1 (0.47) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL6097701 0.85 GCK (0.44) —
SCHEMBL6096294 0.85 NPC1 (0.43) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL6096733 0.85 ALDH1A1 (0.43) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL6095585 0.84 KCNMA1 (0.47) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL6094169 0.84 POLB (0.45) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL6096098 0.84 KMT2A (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6096009 0.83 SORT1 (0.43) SMN1; SMN2LMNAKDM4EGRM5
SCHEMBL6097071 0.82 KDR (0.37) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL6097408 0.82 P2RX1 (0.51) KCNMA1MEN1KMT2AGAAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 — — US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 — — US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 — — US disclosed
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 — — CN disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 — — EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB KCNMA1 3099/4885MEN1 4600/4885KMT2A 2280/4885

“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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