SCHEMBL9970098

SCHEMBL9970098

Cc1ncc(CO)c(CN)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
PDXK O00764 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AOX1 Q06278 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DPP4 P27487 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
AOC3 Q16853 4/20 0.36
GAA P10253 1/20 0.36
LOX P28300 2/20 0.36
CA1 P00915 2/20 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
SCHEMBL18912675 0.86 KDM4E (0.68) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL30408 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13176938 0.82 KDM4E (0.58) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL48103 0.81 LMNA (0.96) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL561421 0.81 LMNA (0.96) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11215366 0.81 LMNA (0.67) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL7749395 0.81 LMNA (0.96) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL9291549 0.80 LMNA (0.93) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL3555546 0.80 LMNA (0.93) LMNAKDM4EALDH1A1HPGDHSD17B10
Pyridoxamine SCHEMBL4876978 0.80 LMNA (0.93) LMNAKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822542-B2 Isoketal scavengers and mitigation of disorders involving oxidative injury VANDERBILT UNIVERSITY (US) 2014-09-02 US disclosed
US-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY VANDERBILT UNIVERSITY 2012-06-21 US disclosed
US-7705054-B1 Method of preventing and/or treating oxidant injury in neurodegenerative and oxidative diseases VANDERBILT UNIVERSITY (US) 2010-04-27 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-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY PDXK, KYNU, FN3K LMNA 2014/4885KDM4E 1534/4885ALDH1A1 860/4885

“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.