SCHEMBL351825

SCHEMBL351825

COc1cccnc1C(=O)NC1=CC(=O)C2OC2C1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.48
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
CTSA P10619 1/20 0.41
HCRTR1 O43613 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL351942 0.85 PARK7 (0.45) PARK7
SCHEMBL351903 0.84 PARK7 (0.45) PARK7BRD4BRPF1KDM4EALDH1A1
SCHEMBL351888 0.84 PARK7 (0.46) PARK7
SCHEMBL352567 0.83 BRD4 (0.39) PARK7BRD4BRPF1CTSAHCRTR1
SCHEMBL16649963 0.83 PARK7 (0.42) PARK7KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL354624 0.82 PARK7 (0.41) PARK7KDM4EALDH1A1MEN1RAB9A
SCHEMBL353842 0.82 PARK7 (0.50) PARK7BRD4BRPF1ALDH1A1SMN1; SMN2
SCHEMBL16649748 0.81 PARK7 (0.43) PARK7
SCHEMBL16649916 0.81 PARK7 (0.58) PARK7KDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL350823 0.79 PARK7 (0.54) PARK7KDM4EALDH1A1SMN1; SMN2MEN1

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 3327/4885BRD4 1058/4885BRPF1 2485/4885

“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.