SCHEMBL351919

SCHEMBL351919

O=C(NC1=CC(=O)C2OC2C1O)c1nc2ccccc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.50
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
MAPT P10636 4/20 0.32
TMPRSS4 Q9NRS4 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL351947 0.95 PARK7 (0.46) PARK7PTGS1PTGS2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL353999 0.94 PARK7 (0.46) PARK7PTGS1PTGS2KDM4EMEN1
SCHEMBL352465 0.88 PARK7 (0.42) PARK7PTGS1PTGS2KDM4EMEN1
SCHEMBL350823 0.85 PARK7 (0.54) PARK7KDM4EMEN1KMT2AALDH1A1
SCHEMBL352464 0.85 PARK7 (0.48) PARK7ALDH1A1MAPTPIM1SMN1; SMN2
SCHEMBL351631 0.84 PARK7 (0.57) PARK7MAPTTMPRSS4HTTATM
SCHEMBL16649950 0.82 PARK7 (0.46) PARK7KDM4EALDH1A1GAAHPGD
SCHEMBL666087 0.81 PARK7 (0.64) PARK7KDM4EMEN1KMT2AALDH1A1
SCHEMBL352431 0.79 PARK7 (0.56) PARK7MAPTRAB9ATP53SMN1; SMN2
SCHEMBL16649909 0.78 PARK7 (0.42) PARK7KDM4EALDH1A1GAAHPGD

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 3327/4885PTGS1 151/4885PTGS2 325/4885

“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.