SCHEMBL6098067

SCHEMBL6098067

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HCRTR1 O43613 1/20 0.51
PDE10A Q9Y233 1/20 0.47
MAPT P10636 8/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP1 P09874 1/20 0.44
TP53 P04637 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
SCHEMBL6097028 0.88 CYP1A2 (0.54) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6097081 0.88 KMT2A (0.52) MEN1KMT2AHCRTR1PDE10AMAPT
SCHEMBL6093802 0.84 NPC1 (0.52) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL6097105 0.84 MEN1 (0.50) MEN1KMT2AHCRTR1PDE10AMAPT
SCHEMBL6096887 0.83 MAPK1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6097223 0.83 P2RX1 (0.47) MEN1KMT2APDE10AMAPTPKM
SCHEMBL6097073 0.83 KLKB1 (0.43) MEN1KMT2AMAPTPKMNPC1
SCHEMBL6097408 0.83 P2RX1 (0.51) MEN1KMT2AMAPTKDM4EPARP1
SCHEMBL6096291 0.82 F2 (0.43) MEN1KMT2AMAPTPKMNPC1
SCHEMBL6096550 0.82 PLAU (0.43) MEN1KMT2AMAPTALDH1A1PKM

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 MEN1 4600/4885KMT2A 2280/4885HCRTR1 4752/4885

“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.