SCHEMBL6095282

SCHEMBL6095282

COc1c(C)c(Cc2ccc(C(=O)N3CCCCC3)c(OCc3ccccc3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
APP P05067 3/20 0.45
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NMT1 P30419 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6095053 0.93 SCN9A (0.53) SCN9AKMT2AMEN1APPHPGD
SCHEMBL27578058 0.89 SCN9A (0.58) SCN9AKMT2AMEN1HPGDALDH1A1
SCHEMBL27581066 0.89 SCN9A (0.53) SCN9AKMT2AMEN1HPGDALDH1A1
SCHEMBL5859872 0.85 MCL1 (0.53) HPGDALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6098137 0.83 HSD17B10 (0.52) SCN9AKMT2AMEN1APPHPGD
SCHEMBL6097694 0.83 SCN9A (0.45) SCN9AKMT2AMEN1APPHPGD
SCHEMBL5859832 0.83 FFAR4 (0.47) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL6096049 0.82 SCN9A (0.42) SCN9AAPPNPC1RAB9A
SCHEMBL6095194 0.80 SCN9A (0.48) SCN9AKMT2AMEN1APPHPGD
SCHEMBL6096053 0.80 HSD11B1 (0.42) SCN9AKMT2AMEN1HPGDALDH1A1

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 SCN9A 2601/4885KMT2A 2280/4885MEN1 4600/4885

“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.