SCHEMBL1714870

SCHEMBL1714870

COc1ccc(C#N)cc1CONC(=O)c1ccccc1NCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.44
PDE5A O76074 1/20 0.43
EPHB4 P54760 1/20 0.42
KDR P35968 5/20 0.42
FLT1 P17948 4/20 0.42
KIT P10721 2/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT4 P35916 1/20 0.42
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.40
BRAF P15056 1/20 0.40
GPR6 P46095 1/20 0.40
HIF1A Q16665 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL1715615 0.93 POLB (0.44) TSHRPOLBPDE5AEPHB4KDR
SCHEMBL5718662 0.91 PDE5A (0.43) TSHRPOLBPDE5AEPHB4KDR
SCHEMBL1715211 0.88 KDR (0.47) PDE5AEPHB4KDRFLT1KIT
SCHEMBL1714589 0.87 KDR (0.43) POLBKDRFLT1KITABL1
SCHEMBL1714727 0.87 KDR (0.42) TSHRPOLBEPHB4KDRFLT1
SCHEMBL1714576 0.86 POLB (0.55) TSHRPOLBKDRFLT1KIT
SCHEMBL1714430 0.85 KIT (0.43) PDE5AKDRFLT1KITABL1
SCHEMBL1715142 0.85 KDR (0.43) KDRFLT1KITABL1EGFR
SCHEMBL1715297 0.85 KDR (0.45) KDRFLT1KITABL1EGFR
SCHEMBL1715441 0.84 KDM4C (0.48) POLBPDE5AEPHB4KDRFLT1

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 TSHR 866/4885POLB 1532/4885PDE5A 2403/4885

“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.