SCHEMBL30679783

SCHEMBL30679783

CC(C)(C)OC(=O)NCc1ccc(N)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 1/20 0.44
NAMPT P43490 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.43
KDM4A O75164 1/20 0.43
TSHR P16473 1/20 0.42
GLS O94925 2/20 0.42
BRD9 Q9H8M2 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL2948305 1.00 HDAC1 (0.48) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL30679781 1.00 HDAC1 (0.48) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL7407052 0.87 HDAC1 (0.48) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL7239692 0.86 CA2 (0.49) HDAC1NAMPTCA1CA2
SCHEMBL31431173 0.84 HDAC1 (0.47) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL31431581 0.84 HDAC1 (0.48) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL21431046 0.84 CA1 (0.42) HDAC1L3MBTL1GRM2CA1CA2
SCHEMBL31738223 0.83 GRM2 (0.49) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL31432277 0.83 HDAC1 (0.46) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL31432393 0.83 CA1 (0.46) HDAC1L3MBTL1GRM2NAMPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS MAIANTI JUAN PABLO (US) 2023-12-21 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-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS DNA2, WRN, DCLRE1A HDAC1 2718/4885L3MBTL1 1646/4885GRM2 2061/4885

“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.