SCHEMBL352816

SCHEMBL352816

O=C(NC1=CC(=O)C2OC2C1O)c1cnccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.48
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNMA1 Q12791 2/20 0.34
P2RX1 P51575 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NAMPT P43490 1/20 0.30
KDM4D Q6B0I6 1/20 0.30

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
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.84 PARK7 (0.54) PARK7ALDH1A1KDM4EMEN1HPGD
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.84 PARK7 (0.54) PARK7ALDH1A1KDM4EMEN1HPGD
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.84 PARK7 (0.54) PARK7ALDH1A1KDM4EMEN1HPGD
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.84 PARK7 (0.54) PARK7ALDH1A1KDM4EMEN1HPGD
SCHEMBL351794 0.80 PARK7 (0.51) PARK7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL666185 0.79 P2RX1 (0.51) PARK7MEN1KMT2AKCNMA1P2RX1
SCHEMBL351909 0.79 PARK7 (0.43) PARK7
SCHEMBL666050 0.79 PARK7 (0.50) PARK7KDM4EMEN1KMT2AKCNMA1
SCHEMBL167099 0.79 PARK7 (0.50) PARK7KDM4EMEN1HPGDKMT2A
SCHEMBL666087 0.77 PARK7 (0.64) PARK7ALDH1A1KDM4EMEN1KMT2A

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 6 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
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US 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 3327/4885ALDH1A1 2365/4885KDM4E 1244/4885

“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.