SCHEMBL6095585

SCHEMBL6095585

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccncc3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
JAK2 O60674 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TYK2 P29597 3/20 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
SCHEMBL6096091 0.92 SMN1; SMN2 (0.47) KCNMA1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6094593 0.89 KCNMA1 (0.52) KCNMA1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6093802 0.89 NPC1 (0.52) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL6096009 0.88 SORT1 (0.43) MAPTSMN1; SMN2LMNAKDM4EPOLB
SCHEMBL6094625 0.88 KCNMA1 (0.52) KCNMA1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6097408 0.88 P2RX1 (0.51) KCNMA1MAPTKDM4EGAAMEN1
SCHEMBL6097223 0.88 P2RX1 (0.47) MAPTSMN1; SMN2LMNANPSR1KDM4E
SCHEMBL6097073 0.88 KLKB1 (0.43) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL6097156 0.88 PARP1 (0.42) KCNMA1JAK2TYK2
SCHEMBL6095885 0.87 TMPRSS4 (0.50) SMN1; SMN2MEN1KMT2A

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 3099/4885MAPT 2457/4885SMN1; SMN2 4307/4885

“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.