SCHEMBL6096098

SCHEMBL6096098

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ncccc3C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NR0B1 P51843 1/20 0.39
SORT1 Q99523 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38
MMP9 P14780 1/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
DNMT3A Q9Y6K1 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
SCHEMBL6096340 0.88 CFD (0.45) KMT2AMEN1HTTMAPK1PKM
SCHEMBL6096733 0.84 ALDH1A1 (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6094680 0.84 KCNMA1 (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6094169 0.83 POLB (0.45) KMT2AMEN1HTTMAPK1RAB9A
SCHEMBL6096932 0.83 KLKB1 (0.55) HTTMAPK1ALDH1A1LMNAKLKB1
SCHEMBL6097071 0.82 KDR (0.37) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6095585 0.82 KCNMA1 (0.47) KMT2AMEN1HTTMAPK1RAB9A
SCHEMBL6094593 0.81 KCNMA1 (0.52) KMT2AMEN1PKMRAB9ANPC1
SCHEMBL6096291 0.81 F2 (0.43) KMT2AMEN1MAPK1PKMRAB9A
SCHEMBL6097701 0.81 GCK (0.44)

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 KMT2A 2280/4885MEN1 4600/4885HTT 3970/4885

“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.