SCHEMBL7604712

SCHEMBL7604712

Cc1ncc(CO)c(CNCl)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 3/20 0.69
HSD17B10 Q99714 1/20 0.69
LMNA P02545 3/20 0.63
GAA P10253 3/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
PDXK O00764 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7242817 0.86 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL15586891 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18617699 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14576441 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6271143 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31010835 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL20502352 0.82 KDM4E (0.92) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL2322958 0.82 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.82 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30267871 0.82 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296302-A1 Methods For Treating Inflammation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-10-02 US disclosed
WO-2013012715-A1 METHODS FOR TREATING INFLAMMATION VANDERBILT UNIVERSITY (US) 2013-01-24 WO disclosed
WO-2013012715-A1 METHODS FOR TREATING INFLAMMATION VANDERBILT UNIVERSITY (US) 2013-01-24 WO disclosed
US-20130017616-A1 Methods For Treating Inflammation Vanderbilt University - Center for Technology Transfer and Commercialization (US) 2013-01-17 US disclosed
US-20020164651-A1 Diagnostic for inflammatory diseases associated with cartilage and bone surfaces NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-07 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 (2 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-20130017616-A1 Methods For Treating Inflammation TNF, MMP8, IL1B KDM4E 3202/4885ALDH1A1 1177/4885HPGD 1278/4885
US-20140296302-A1 Methods For Treating Inflammation TNF, MMP8, IL1B KDM4E 3202/4885ALDH1A1 1177/4885HPGD 1278/4885

“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.