SCHEMBL18295366

SCHEMBL18295366

CC(C)(C)OC(=O)NCCOc1cccc(CC(=O)NN)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
PDK2 Q15119 1/20 0.49
IDO1 P14902 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GLS O94925 2/20 0.44
PPARD Q03181 1/20 0.43
AOC2 O75106 1/20 0.41
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL18295383 0.97 CA1 (0.54) CA1CA2CA12CA9PDK2
SCHEMBL31724915 0.88 CA12 (0.52) CA1CA2CA12CA9PDK2
SCHEMBL28430727 0.88 CA12 (0.52) CA1CA2CA12CA9PDK2
SCHEMBL17974300 0.85 CA12 (0.54) CA1CA2CA12CA9PDK2
SCHEMBL18295353 0.85 CA1 (0.64) CA1CA2CA12CA9PDK2
SCHEMBL18551719 0.85 CA12 (0.53) CA1CA2CA12CA9PDK2
SCHEMBL17974302 0.84 CA12 (0.53) CA1CA2CA12CA9PDK2
SCHEMBL3980344 0.84 CA12 (0.52) CA1CA2CA12CA9PDK2
SCHEMBL24359015 0.83 CA12 (0.52) CA1CA2CA12CA9PDK2
SCHEMBL6478753 0.83 CA12 (0.55) CA1CA2CA12CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 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-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 CA1 3776/4885CA2 2335/4885CA12 3431/4885

“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.