SCHEMBL6097028

SCHEMBL6097028

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 1/20 0.49
DGAT1 O75907 8/20 0.47
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
WNT3A P56704 1/20 0.45
PPARG P37231 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
HTT P42858 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL6095599 0.89 CYP1A2 (0.51) CYP1A2RAB9AMAPTCYP2C19DGAT1
SCHEMBL6098067 0.88 MEN1 (0.51) CYP1A2RAB9AMAPTNPC1LMNA
SCHEMBL6096115 0.83 LMNA (0.50) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL6096887 0.82 MAPK1 (0.48) MAPTLMNASMN1; SMN2
SCHEMBL6093988 0.82 KCNQ3 (0.45) LMNAKCNQ3KCNQ2
SCHEMBL6097223 0.79 P2RX1 (0.47) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL6094593 0.79 KCNMA1 (0.52) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL6093802 0.78 NPC1 (0.52) CYP1A2RAB9AMAPTCYP2C19NPC1
SCHEMBL6096009 0.78 SORT1 (0.43) MAPTLMNASMN1; SMN2
SCHEMBL6097081 0.77 KMT2A (0.52) CYP1A2RAB9AMAPTNPC1SMN1; 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.