SCHEMBL10299255

SCHEMBL10299255

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2ccccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 8/20 0.40
CNR2 P34972 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H3 Q13133 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PAX8 Q06710 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 2/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL31431751 0.83 NR1H2 (0.39) ALDH1A1NR1H2NR1H3KDM4E
SCHEMBL30781510 0.83 NR1H2 (0.39) ALDH1A1NR1H2MAPTNR1H3CA12
SCHEMBL481590 0.83 BACE1 (0.41) NR1H2NR1H3
SCHEMBL14920239 0.83 BACE1 (0.41) ALDH1A1KMT2ANR1H2MAPTNR1H3
SCHEMBL2779797 0.83 NR1H2 (0.39) ALDH1A1NR1H2MAPTNR1H3CA12
SCHEMBL482090 0.81 GABRG2 (0.36) NR1H2NR1H3CA12CA9
SCHEMBL133464 0.79 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2ANR1H2CNR2
SCHEMBL6120980 0.79 BACE1 (0.40) L3MBTL1ALDH1A1KMT2ANR1H2MAPT
SCHEMBL18459405 0.79 BRD4 (0.42) L3MBTL1ALDH1A1KMT2AMAPTGAA
SCHEMBL8327704 0.79 ALDH1A1 (0.42) L3MBTL1ALDH1A1KMT2ANR1H2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221765-B2 Inhibition and dispersion of bacterial biofilms with benzimidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-12-29 US disclosed
US-9221765-B2 Inhibition and dispersion of bacterial biofilms with benzimidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-12-29 US disclosed
US-20120171129-A1 Inhibition and Dispersion of Bacterial Biofilms with Benzimidazole Derivatives NORTH CAROLINA STATE UNIVERSITY 2012-07-05 US disclosed
WO-2010144686-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH BENZIMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2010-12-16 WO 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-20120171129-A1 Inhibition and Dispersion of Bacterial Biofilms with Benzimidazole Derivatives SBDS, DBI, BRI3BP L3MBTL1 992/4885ALDH1A1 1247/4885KMT2A 2548/4885

“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.