SCHEMBL351903

SCHEMBL351903

COc1nccnc1C(=O)NC1=CC(=O)C2OC2C1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.45
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 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
SCHEMBL351825 0.84 PARK7 (0.48) PARK7KDM4EALDH1A1BRD4BRPF1
Trifluoroacetic Acid SCHEMBL353832 0.80 PARK7 (0.45) PARK7MAPTTSHRKDM4EALDH1A1
SCHEMBL16649963 0.76 PARK7 (0.42) PARK7MAPTKDM4EALDH1A1
SCHEMBL351909 0.73 PARK7 (0.43) PARK7
SCHEMBL354624 0.72 PARK7 (0.41) PARK7MAPTKDM4EALDH1A1
SCHEMBL353833 0.69 BRD4 (0.38) PARK7MAPTTSHRALDH1A1BRD4
SCHEMBL16649823 0.68 PARK7 (0.48) PARK7MAPTTSHRKDM4EALDH1A1
SCHEMBL352312 0.68 PARK7 (0.55) PARK7MAPTKDM4EALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.68 PARK7 (0.54) PARK7MAPTTSHRKDM4EALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.68 PARK7 (0.54) PARK7MAPTTSHRKDM4EALDH1A1

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 3 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
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

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 3327/4885MAPT 2761/4885TSHR 3989/4885

“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.