SCHEMBL1715322

SCHEMBL1715322

N#Cc1cc(CNc2ccccc2C(=O)NOCc2ccccc2Br)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
PARP1 P09874 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
AURKB Q96GD4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
ADRB3 P13945 1/20 0.34
CXCR2 P25025 1/20 0.34
TSPO P30536 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1715228 0.88 TSHR (0.43) CD38RXFP1HDAC1HDAC8HDAC6
SCHEMBL1715532 0.88 NPC1 (0.45) KITBRAFRXFP1HDAC1HDAC8
SCHEMBL1714823 0.78 HPGD (0.56) HDAC1HDAC8HDAC6POLBALDH1A1
SCHEMBL1714872 0.77 KDR (0.47) KITBRAFPOLBALDH1A1HPGD
SCHEMBL1715763 0.77 CD38 (0.41) CD38PARP1SIRT2AURKARPS6KB1
SCHEMBL1715646 0.76 CA1 (0.44) RXFP1AURKARPS6KB1HDAC1POLB
SCHEMBL1715114 0.75 KDR (0.46) KITBRAFHDAC6POLBALDH1A1
SCHEMBL1715483 0.75 NPC1 (0.50) PARP1RXFP1HDAC1HDAC8HDAC6
SCHEMBL1715401 0.75 KDR (0.47) KITBRAFPOLBALDH1A1HPGD
SCHEMBL1714734 0.74 HIF1A (0.40) ALDH1A1GAAHPGDHSD17B10TSHR

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 16 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
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
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
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
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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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 (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 CD38 335/4885KIT 406/4885BRAF 1422/4885

“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.