SCHEMBL6096898

SCHEMBL6096898

COC1=C(OC)C(=O)C(Cc2ccc(C(=O)Nc3cccnc3)c(OC(C)=O)c2)=C(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
LRRK2 Q5S007 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.44
SGMS2 Q8NHU3 5/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.43
NAMPT P43490 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL6096571 0.93 GAA (0.51) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL6097042 0.87 KDM4E (0.48) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL6097523 0.87 LMNA (0.47) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL6098023 0.85 CCR5 (0.48) KDM4ENPC1RAB9APOLBKMT2A
SCHEMBL6094593 0.85 KCNMA1 (0.52) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL6094786 0.82 LRRK2 (0.61) LRRK2SGMS2
SCHEMBL6095967 0.82 PDE4A (0.49) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL6095529 0.81 POLB (0.53) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL6095401 0.80 RXFP1 (0.43) KDM4EMAPTSMN1; SMN2
SCHEMBL6099250 0.80 LMNA (0.54) KDM4ENPC1MAPTTSHRRAB9A

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 4 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
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 KDM4E 1491/4885NPC1 1501/4885MAPT 2457/4885

“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.