SCHEMBL6096946

SCHEMBL6096946

COc1c(C)c(Cc2ccc(Oc3cccnc3)c(C(=O)N3CCCCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SCN9A Q15858 1/20 0.37
NAMPT P43490 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6097437 0.92 DRD2 (0.41) DRD2DRD3RAB9AALDH1A1KDM4E
SCHEMBL6098034 0.89 KMT2A (0.39) GAARAB9AALDH1A1KDM4ESCN9A
SCHEMBL6096049 0.87 SCN9A (0.42) RAB9ASCN9A
SCHEMBL5858943 0.85 CYP2C9 (0.46) ABL1BCRTDP1RAB9AALDH1A1
SCHEMBL5859237 0.83 CYP2C9 (0.44) DRD2DRD3ABL1BCRALDH1A1
SCHEMBL6096245 0.82 DRD2 (0.41) DRD2DRD3GAATDP1ALDH1A1
SCHEMBL6097694 0.81 SCN9A (0.45) RAB9AALDH1A1SCN9AKMT2A
SCHEMBL6096999 0.81 ALDH1A1 (0.42) GAARAB9AALDH1A1KDM4EKMT2A
SCHEMBL6095053 0.79 SCN9A (0.53) ABL1RAB9AALDH1A1KDM4ESCN9A
SCHEMBL6095393 0.79 P2RY12 (0.46) RAB9AALDH1A1KDM4EKMT2A

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 DRD2 4764/4885DRD3 4807/4885ABL1 3144/4885

“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.