SCHEMBL2779797

SCHEMBL2779797

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2ccc(N)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.39
BRD4 O60885 2/20 0.39
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
MAP4K4 O95819 1/20 0.34
NR1H3 Q13133 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
CHEK2 O96017 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL30781510 1.00 NR1H2 (0.39) NR1H2BRD4GABRG2GABRB3GABRA5
SCHEMBL31431751 0.91 NR1H2 (0.39) NR1H2BRD4GABRG2GABRB3GABRA5
SCHEMBL14920239 0.86 BACE1 (0.41) NR1H2GABRG2GABRB3GABRA5NR1H3
SCHEMBL24176654 0.84 NR1H2 (0.36) NR1H2BRD4GABRG2GABRB3GABRA5
SCHEMBL10299255 0.83 L3MBTL1 (0.45) NR1H2NR1H3ALDH1A1MAPTCA12
SCHEMBL7249675 0.82 NR1H2 (0.43) NR1H2BRD4GABRG2GABRB3GABRA5
SCHEMBL6120980 0.82 BACE1 (0.40) NR1H2GABRG2GABRB3GABRA5AURKA
SCHEMBL18459405 0.82 BRD4 (0.42) BRD4ALDH1A1MAPT
SCHEMBL4091251 0.81 AURKA (0.35) NR1H2GABRG2GABRB3GABRA5AURKA
SCHEMBL481590 0.79 BACE1 (0.41) NR1H2GABRG2GABRB3GABRA5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2020-05-07 US disclosed
US-10570152-B2 Antibacterial therapeutics and prophylactics VYOME THERAPEUTICS LIMITED (IN) 2020-02-25 US disclosed
WO-2017017631-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2017-02-02 WO 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 (3 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 NR1H2 4818/4885BRD4 205/4885GABRG2 995/4885
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS CLPP, CFTR, ELANE NR1H2 3032/4885BRD4 3734/4885GABRG2 3142/4885
US-10570152-B2 Antibacterial therapeutics and prophylactics CLPP, CFTR, ELANE NR1H2 3032/4885BRD4 3734/4885GABRG2 3142/4885

“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.