SCHEMBL6094093

SCHEMBL6094093

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2OC(C)=O)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HCRTR1 O43613 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PDE10A Q9Y233 1/20 0.44
PDE7A Q13946 1/20 0.43
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 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
SCHEMBL6097105 0.89 MEN1 (0.50) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6095316 0.85 NPC1 (0.46) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL6097081 0.83 KMT2A (0.52) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6096116 0.82 USP2 (0.44) SMN1; SMN2USP2KMT2APKMALDH1A1
SCHEMBL6097612 0.82 RXFP1 (0.41) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL6097209 0.80 RXFP1 (0.42) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6098067 0.79 MEN1 (0.51) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6095529 0.78 POLB (0.53) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6096506 0.78 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL6096412 0.75 TSHR (0.42) SMN1; SMN2KDM4EHSD17B10KMT2AALDH1A1

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 MAPT 2457/4885SMN1; SMN2 4307/4885NPC1 1501/4885

“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.