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
SCHEMBL6096098 0.84 KMT2A (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6094169 0.84 POLB (0.45) MEN1KMT2ANPC1RAB9ATP53
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.