SCHEMBL1715686

SCHEMBL1715686

CCOC(=O)CNC(=O)Nc1cc(CNc2ccccc2C(=O)N(OC)C2CCCC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KIT P10721 9/20 0.44
BRAF P15056 9/20 0.44
GLA P06280 1/20 0.37
PPID Q08752 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 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
SCHEMBL1715659 0.90 KIT (0.45) KDM4EALDH1A1KITBRAFGLA
SCHEMBL1714842 0.84 KIT (0.41) KDM4EKITBRAFGLACDK5
SCHEMBL1715490 0.84 KIT (0.44) ALDH1A1KITBRAFTDP1L3MBTL1
SCHEMBL1715685 0.82 KIT (0.47) KDM4EALDH1A1KITBRAFPPID
SCHEMBL1715861 0.81 KIT (0.42) KITBRAF
SCHEMBL12461138 0.80 KIT (0.42) KDM4EALDH1A1KITBRAFGLA
SCHEMBL1715329 0.79 KIT (0.40) KDM4EKITBRAFADRA1DADRA1A
SCHEMBL1715456 0.79 KIT (0.40) KITBRAFADRA1DADRA1AADRA1B
SCHEMBL1715290 0.79 MAPK10 (0.49) KDM4EALDH1A1KITBRAFCDK5
SCHEMBL1715094 0.78 KIT (0.49) KITBRAFADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed
US-20100099710-A1 SRC FAMILY KINASE INHIBITORS JENSEN LENE 2010-04-22 US claimed
EP-2146703-A1 SRC FAMILY KINASE INHIBITORS Leo Pharma A/S (DK) 2010-01-27 EP claimed
WO-2008128538-A1 SRC FAMILY KINASE INHIBITORS LEO PHARMA A/S (DK) 2008-10-30 WO claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20100099710-A1 SRC FAMILY KINASE INHIBITORS JENSEN LENE 2010-04-22 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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-20100099710-A1 SRC FAMILY KINASE INHIBITORS SRC, FYN, LYN KDM4E 2194/4885ALDH1A1 3986/4885KIT 435/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KDM4E 843/4885ALDH1A1 804/4885KIT 406/4885

“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.