SCHEMBL6096009

SCHEMBL6096009

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccnc(OC)c3)c2)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.43
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
FADS1 O60427 2/20 0.38
PARP1 P09874 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
RPS6KA2 Q15349 1/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL6097156 0.90 PARP1 (0.42) SORT1FADS1PARP1P2RX1
SCHEMBL6095585 0.88 KCNMA1 (0.47) KDM4ELMNAPOLBMAPTSMN1; SMN2
SCHEMBL6096496 0.87 SORT1 (0.40) SORT1KCNK3KCNK9MALT1SCN10A
SCHEMBL6096115 0.87 LMNA (0.50) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL6096294 0.85 NPC1 (0.43) FADS1RPS6KA2GRM5KDM4ETSHR
SCHEMBL6094593 0.84 KCNMA1 (0.52) KDM4ELMNAPOLBTSHRMAPT
SCHEMBL6095900 0.83 KMT2A (0.47) LMNAPOLBMAPTSMN1; SMN2
SCHEMBL6093802 0.83 NPC1 (0.52) FADS1KDM4ELMNAPOLBP2RX1
SCHEMBL6094680 0.83 KCNMA1 (0.51) GRM5KDM4ELMNASMN1; SMN2
SCHEMBL6097408 0.82 P2RX1 (0.51) FADS1PARP1KDM4EP2RX1MAPT

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 SORT1 4598/4885KCNK3 4174/4885KCNK9 3081/4885

“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.