SCHEMBL7934019

SCHEMBL7934019

Cc1ncc(CO)c(CNC(=O)CS)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 4/20 0.54
HDAC1 Q13547 2/20 0.47
GAA P10253 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
AOX1 Q06278 1/20 0.46
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
PDXK O00764 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RORC P51449 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39

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
SCHEMBL18792850 0.87 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18763024 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18792849 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29883611 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12994391 0.84 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7186649 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6789858 0.82 HDAC1 (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18617699 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7242817 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14898738 0.77 GAA (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KDM4E 1274/4885ALDH1A1 496/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KDM4E 1963/4885ALDH1A1 2213/4885HPGD 599/4885

“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.