SCHEMBL352091

SCHEMBL352091

O=C(NC1=CC(=O)C2OC2C1O)c1cc2ncsc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.46
HIF1A Q16665 1/20 0.35
HSD11B1 P28845 1/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
NPC1 O15118 7/20 0.32
RAB9A P51151 7/20 0.32
AURKA O14965 1/20 0.31
KMT2A Q03164 5/20 0.31
MEN1 O00255 4/20 0.31
NAMPT P43490 2/20 0.31
GFER P55789 1/20 0.31
MCL1 Q07820 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL352337 0.80 PARK7 (0.46) PARK7NPC1RAB9AKMT2AMEN1
SCHEMBL353426 0.79 PARK7 (0.46) PARK7NPC1RAB9AKMT2ANAMPT
SCHEMBL665474 0.78 PARK7 (0.49) PARK7NPC1RAB9AKMT2AMEN1
SCHEMBL666087 0.77 PARK7 (0.64) PARK7NPC1RAB9AKMT2AMEN1
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.74 PARK7 (0.54) PARK7HIF1ANPC1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.74 PARK7 (0.54) PARK7HIF1ANPC1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.74 PARK7 (0.54) PARK7HIF1ANPC1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.74 PARK7 (0.54) PARK7HIF1ANPC1RAB9AKMT2A
SCHEMBL665039 0.73 PARK7 (0.50) PARK7NPC1RAB9AKDM4ELMNA
SCHEMBL666050 0.73 PARK7 (0.50) PARK7NPC1RAB9AKMT2AMEN1

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 3327/4885HIF1A 232/4885HSD11B1 1857/4885

“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.