SCHEMBL1715787

SCHEMBL1715787

N#Cc1ccc(CONC(=O)c2ccccc2NCc2ccnc(NC(=O)NC3CCCCC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.42
EPHX1 P07099 1/20 0.41
KIT P10721 9/20 0.40
BRAF P15056 9/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL1714733 0.87 PIK3C3 (0.46) KITBRAF
SCHEMBL1716023 0.86 KIT (0.53) KITBRAFKDM4EMEN1KMT2A
SCHEMBL1715311 0.86 TP53 (0.45) TP53PKMKITBRAFKDM4E
SCHEMBL1714728 0.86 KIT (0.44) KITBRAFALDH1A1MEN1KMT2A
SCHEMBL1715222 0.85 KIT (0.54) KITBRAFMEN1KMT2A
SCHEMBL1715216 0.85 HDAC1 (0.43) KITBRAF
SCHEMBL1715583 0.84 KIT (0.47) KITBRAFMEN1KMT2A
SCHEMBL1714659 0.84 KIT (0.45) KITBRAF
SCHEMBL1716091 0.84 KIT (0.38) KITBRAF
SCHEMBL1714811 0.84 KIT (0.42) KITBRAF

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 12 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20100099710-A1 SRC FAMILY KINASE INHIBITORS SRC, FYN, LYN TP53 1407/4885PKM 3572/4885EPHX1 1718/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 TP53 923/4885PKM 2782/4885EPHX1 201/4885

“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.