SCHEMBL353845

SCHEMBL353845

O=C(NC1=CC(=O)C2OC2C1O)c1cnc(-c2ccccc2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.50
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 1/20 0.37
HPGD P15428 1/20 0.35
PDE4B Q07343 3/20 0.35
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL16650499 0.83 PARK7 (0.44) PARK7MEN1KMT2ALMNAALDH1A1
SCHEMBL351794 0.77 PARK7 (0.51) PARK7MEN1KMT2AALDH1A1MAPT
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.76 PARK7 (0.54) PARK7MEN1KMT2ALMNAALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.76 PARK7 (0.54) PARK7MEN1KMT2ALMNAALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.76 PARK7 (0.54) PARK7MEN1KMT2ALMNAALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.76 PARK7 (0.54) PARK7MEN1KMT2ALMNAALDH1A1
SCHEMBL666087 0.74 PARK7 (0.64) PARK7MEN1KMT2ALMNAALDH1A1
SCHEMBL353155 0.74 PARK7 (0.48) PARK7SMN1; SMN2HTTJUNNFKB1
SCHEMBL352816 0.73 PARK7 (0.48) PARK7MEN1KMT2ALMNAALDH1A1
SCHEMBL352102 0.73 PARK7 (0.47) PARK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US claimed
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 3327/4885MEN1 2854/4885KMT2A 2968/4885

“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.