SCHEMBL6096049

SCHEMBL6096049

COc1c(C)c(Cc2ccc(OCc3cccnc3)c(C(=O)N3CCCCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CSF1R P07333 1/20 0.41
KDM1A O60341 1/20 0.40
LRRK2 Q5S007 2/20 0.39
APP P05067 1/20 0.39
MET P08581 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6095393 0.92 P2RY12 (0.46) NPC1RAB9AAPP
SCHEMBL6097694 0.90 SCN9A (0.45) SCN9ANPC1RAB9ACSF1RAPP
SCHEMBL6095053 0.89 SCN9A (0.53) SCN9ANPC1RAB9AAPP
SCHEMBL6096946 0.87 DRD2 (0.42) SCN9ARAB9A
SCHEMBL6096061 0.86 SYK (0.47) LRRK2
SCHEMBL6097409 0.85 LRRK2 (0.45) LRRK2
SCHEMBL5858943 0.84 CYP2C9 (0.46) SCN9ARAB9A
SCHEMBL5859237 0.82 CYP2C9 (0.44) SCN9A
SCHEMBL6094504 0.82 NPC1 (0.41) SCN9ANPC1RAB9ACSF1RKDM1A
SCHEMBL6095282 0.82 SCN9A (0.53) SCN9ANPC1RAB9AAPP

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 SCN9A 2601/4885NPC1 1501/4885RAB9A 3710/4885

“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.