SCHEMBL20836739

SCHEMBL20836739

CC(C)(C)OC(=O)Nc1ccc(C(N)=NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.50
HDAC2 Q92769 9/20 0.50
CYP17A1 P05093 2/20 0.50
NAMPT P43490 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
PRMT1 Q99873 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PSMB8 P28062 1/20 0.44
MAP4K4 O95819 1/20 0.43

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
SCHEMBL16137952 1.00 HDAC1 (0.50) HDAC1HDAC2CYP17A1NAMPTNPC1
SCHEMBL13153892 1.00 HDAC1 (0.50) HDAC1HDAC2CYP17A1NAMPTNPC1
SCHEMBL5394826 0.84 SMN1; SMN2 (0.58) CYP17A1NAMPTNPC1RAB9AALDH1A1
SCHEMBL14503399 0.83 CYP17A1 (0.51) CYP17A1NAMPTPRMT1MAPTPSMB8
SCHEMBL4514014 0.83 HDAC3 (0.53) HDAC1HDAC2CYP17A1NAMPTRAB9A
SCHEMBL8268111 0.83 HDAC3 (0.53) HDAC1HDAC2CYP17A1NAMPTRAB9A
SCHEMBL13055402 0.82 CYP17A1 (0.59) CYP17A1NAMPTALDH1A1GAAPSMB8
SCHEMBL14024178 0.81 CYP17A1 (0.52) CYP17A1NAMPTNPC1RAB9AALDH1A1
SCHEMBL5464761 0.81 CYP17A1 (0.52) CYP17A1NAMPTALDH1A1PRMT1GAA
SCHEMBL12637634 0.80 CYP17A1 (0.57) CYP17A1NAMPTNPC1RAB9APRMT1

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
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 EP disclosed
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2024-08-22 US disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 EP 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-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 HDAC1 804/4885HDAC2 1440/4885CYP17A1 2114/4885

“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.