SCHEMBL3000944

SCHEMBL3000944

NC(=O)NOCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM5C P41229 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TSHR P16473 4/20 0.36
CYP1A2 P05177 3/20 0.36
NFKB1 P19838 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THPO P40225 1/20 0.36
SLC15A2 Q16348 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL3001152 0.86 LMNA (0.43) LMNATSHRCYP1A2NFKB1SLC22A6
SCHEMBL8424999 0.81 LMNA (0.35) LMNAEGLN1ALKBH5SUCNR1KDM4E
SCHEMBL12572405 0.78 GABRR1 (0.37) LMNAEGLN1ALKBH5SUCNR1KDM4E
SCHEMBL4650823 0.76 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1KDM4E
SCHEMBL2990413 0.74
SCHEMBL2052484 0.74
SCHEMBL20460583 0.74
SCHEMBL27902477 0.74 ALDH1A1 (0.35) LMNATSHRCYP1A2NFKB1MAOA
SCHEMBL1756689 0.72
SCHEMBL8374138 0.70 MEN1 (0.39) LMNAMAOAMAOBSLC15A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF 2010-07-29 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-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES GLO1, MGAM, AGL LMNA 3728/4885EGLN1 1720/4885ALKBH5 218/4885

“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.