SCHEMBL6095599

SCHEMBL6095599

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(N4CCOCC4)nc3)c2)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.46
CYP2C19 P33261 1/20 0.46
DGAT1 O75907 7/20 0.45
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
WNT3A P56704 1/20 0.43
MTOR P42345 1/20 0.43
PPARG P37231 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
HTT P42858 1/20 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
SCHEMBL6097028 0.89 CYP1A2 (0.54) CYP1A2RAB9AMAPTCYP2C19DGAT1
SCHEMBL6097081 0.89 KMT2A (0.52) CYP1A2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6099250 0.84 LMNA (0.54) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL6096822 0.84 CASP1 (0.46) RAB9AMAPTLMNASMN1; SMN2
SCHEMBL6097835 0.83 KCNQ3 (0.43) CYP1A2MAPTCYP2C19LMNASMN1; SMN2
SCHEMBL6095894 0.81 CA1 (0.42) CYP1A2RAB9AMAPTCYP2C19NPC1
SCHEMBL6096571 0.80 GAA (0.51) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL6097613 0.80 KMT2A (0.47) CYP1A2RAB9AMAPTCYP2C19NPC1
SCHEMBL6098348 0.80 CCR5 (0.48) CYP1A2RAB9ACYP2C19NPC1LMNA
SCHEMBL6096496 0.79 SORT1 (0.40) CYP1A2MAPTCYP2C19LMNASMN1; SMN2

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 CYP1A2 3095/4885RAB9A 3710/4885MAPT 2457/4885

“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.