SCHEMBL6097694

SCHEMBL6097694

COc1c(C)c(Cc2ccc(OCc3ccncc3)c(C(=O)N3CCCCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
CSF1R P07333 1/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 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
SCHEMBL6097805 0.91 HPGD (0.43) SCN9ACSF1RKMT2AMEN1NPC1
SCHEMBL6095053 0.91 SCN9A (0.53) SCN9AKMT2AMEN1NPC1RAB9A
SCHEMBL6096049 0.90 SCN9A (0.42) SCN9ACSF1RNPC1RAB9AAPP
SCHEMBL6098034 0.88 KMT2A (0.39) SCN9AKMT2AMEN1RAB9AHPGD
SCHEMBL6095724 0.85 FOLH1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5859084 0.84 CYP46A1 (0.47) SCN9ARAB9A
SCHEMBL6096479 0.84 SCN9A (0.41) SCN9AKMT2AMEN1NPC1HPGD
SCHEMBL27578058 0.84 SCN9A (0.58) SCN9AKMT2AMEN1NPC1HPGD
SCHEMBL6096129 0.84 PLK1 (0.40) CSF1RKMT2AMEN1RAB9AHPGD
SCHEMBL6095282 0.83 SCN9A (0.53) SCN9AKMT2AMEN1NPC1RAB9A

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 2601/4885CSF1R 2659/4885KMT2A 2280/4885

“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.