SCHEMBL351794

SCHEMBL351794

O=C(NC1=CC(=O)C2OC2C1O)c1cccnc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.51
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PRKCI P41743 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 5/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
KDR P35968 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL353842 0.84 PARK7 (0.50) PARK7KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL352312 0.83 PARK7 (0.55) PARK7KMT2AALDH1A1MEN1GAA
SCHEMBL351888 0.83 PARK7 (0.46) PARK7GRM5
SCHEMBL351849 0.82 PARK7 (0.45) PARK7PRKCIALDH1A1MAPTKDM4E
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.82 PARK7 (0.54) PARK7KMT2AALDH1A1MEN1GAA
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.82 PARK7 (0.54) PARK7KMT2AALDH1A1MEN1GAA
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.82 PARK7 (0.54) PARK7KMT2AALDH1A1MEN1GAA
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.82 PARK7 (0.54) PARK7KMT2AALDH1A1MEN1GAA
SCHEMBL353155 0.80 PARK7 (0.48) PARK7TDP1NPC1KDR
SCHEMBL352816 0.80 PARK7 (0.48) PARK7KMT2AL3MBTL1ALDH1A1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US claimed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US claimed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 WO 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG PARK7 3327/4885KMT2A 2968/4885L3MBTL1 2201/4885

“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.