SCHEMBL3685404

SCHEMBL3685404

CONC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA2 P00918 7/20 0.41
CA12 O43570 5/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
APLNR P35414 1/20 0.38
CA1 P00915 6/20 0.37
CA9 Q16790 4/20 0.37
EPHX1 P07099 1/20 0.37
DGAT1 O75907 1/20 0.36
CA7 P43166 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36

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
SCHEMBL288380 0.82 MAOA (0.47) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL27777117 0.81 TDP1 (0.50) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL3467656 0.81 CA12 (0.53) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL11566314 0.81 CA12 (0.53) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL3677388 0.80 TDP1 (0.47) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL1950351 0.80 TDP1 (0.47) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL523837 0.79 CA2 (0.59) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL8353336 0.79 MAOA (0.57) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL5147688 0.79 TDP1 (0.43) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL27385783 0.79 MAOA (0.57) MAOAMAOBTDP1MEN1KMT2A

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-7662856-B2 Compositions having antimycrobial activity including a hydroxamate or a hydroxamate and a hydroxlyamine THE UNIVERSITY OF HOUSTON SYSTEM (US) 2010-02-16 US disclosed
US-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine KOHN HAROLD 2008-10-09 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-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine CD68, HAAO, HOGA1 MAOA 225/4885MAOB 333/4885TDP1 1215/4885

“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.