SCHEMBL352567

SCHEMBL352567

COc1cccnc1C(=O)NC1=CC(=O)C2OC2C1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
CTSA P10619 1/20 0.37
NFE2L2 Q16236 1/20 0.36
HCRTR1 O43613 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PARK7 Q99497 1/20 0.34
GPR6 P46095 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL351941 0.87 TLR7 (0.40) PARK7
SCHEMBL16649994 0.86 SSTR4 (0.32) NFE2L2
SCHEMBL353833 0.86 BRD4 (0.38) BRD4BRPF1ALDH1A1PARK7GPR6
SCHEMBL351825 0.83 PARK7 (0.48) BRD4BRPF1CTSAHCRTR1KDM4E
SCHEMBL352373 0.81 EGLN1 (0.40) PARK7MEN1NPC1RAB9AKMT2A
SCHEMBL351942 0.79 PARK7 (0.45) PARK7
SCHEMBL168258 0.72 KLKB1 (0.39) ALDH1A1PARK7MEN1NPC1TP53
Trifluoroacetic Acid SCHEMBL353832 0.69 PARK7 (0.45) BRD4BRPF1KDM4EALDH1A1PARK7
SCHEMBL351903 0.68 PARK7 (0.45) BRD4BRPF1KDM4EALDH1A1PARK7
SCHEMBL354624 0.67 PARK7 (0.41) KDM4EALDH1A1PARK7MEN1NPC1

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 BRD4 1058/4885BRPF1 2485/4885CTSA 693/4885

“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.