SCHEMBL18295353

SCHEMBL18295353

CC(C)(C)OC(=O)NCCOc1ccc(CC(=O)NN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.64
CA2 P00918 7/20 0.64
CA12 O43570 5/20 0.64
CA9 Q16790 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
PDK2 Q15119 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SUCNR1 Q9BXA5 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL926118 0.87 CA12 (0.63) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL11294063 0.86 CA12 (0.62) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL18295366 0.85 CA1 (0.53) CA1CA2CA12CA9PDK2
SCHEMBL18226889 0.85 CA12 (0.68) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL17974332 0.84 CA12 (0.66) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL17974334 0.84 CA12 (0.66) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL928154 0.84 CA12 (0.59) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL14811632 0.83 CA12 (0.64) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL3683825 0.83 CA12 (0.64) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL17987635 0.83 CA12 (0.64) CA1CA2CA12CA9SMN1; SMN2

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.