SCHEMBL1716030

SCHEMBL1716030

Nc1ccc(CNc2ccccc2C(=O)NOCC2CCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
ADRA1A P35348 3/20 0.38
VNN1 O95497 1/20 0.38
MAPK8 P45983 1/20 0.38
PPIB P23284 1/20 0.37
METTL3 Q86U44 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL1714736 0.85 MEN1 (0.43) HDAC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1715901 0.85 AOC3 (0.41) HDAC1SIRT2ALDH1A1KDM4EKIT
SCHEMBL1715097 0.85 KIT (0.51) SIRT2ADRA1AMAPK8KDM5AKDM4C
SCHEMBL1715244 0.83 KDR (0.47) SIRT2ADRA1AMAPK8KDM5AKDM4C
SCHEMBL1715766 0.82 KDR (0.47) SIRT2ADRA1AMAPK8KDM5AKDM4C
SCHEMBL1714694 0.82 KDR (0.47) SIRT2ADRA1AMAPK8KDM5AKDM4C
SCHEMBL1715524 0.82 KDR (0.47) SIRT2ADRA1AMAPK8KDM5AKDM4C
SCHEMBL1714615 0.81 KDR (0.47) ADRA1AKDM5AKDM4CADRA1DADRA1B
SCHEMBL3633866 0.79 ADRA1A (0.40) HDAC1SIRT2ADRA1AMAPK8KDM5A
SCHEMBL1715279 0.79 SIRT2 (0.40) HDAC1SIRT2ADRA1AMAPK8ADRA1D

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 13 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-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
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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 (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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 HDAC1 45/4885SIRT2 1332/4885ADRA1A 2506/4885

“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.