SCHEMBL1714112

SCHEMBL1714112

COc1ccc(CNc2ccccc2C(=O)NOCc2ccc(C#N)cc2OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HDAC1 Q13547 2/20 0.40
PDE5A O76074 6/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HIF1A Q16665 1/20 0.37
VNN1 O95497 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
CSF1R P07333 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
SCHEMBL1715269 0.89 HDAC1 (0.44) TSHRHDAC1PDE5APDE4APDE4B
SCHEMBL1715615 0.86 POLB (0.44) TSHRPDE5AHIF1ANPC1RAB9A
SCHEMBL1715722 0.85 TSHR (0.41) TSHRPDE5APDCD1CD274RXFP1
SCHEMBL1714727 0.82 KDR (0.42) TSHRPDCD1CD274RXFP1AURKA
SCHEMBL1715528 0.81 KIT (0.49) TSHRPDE5ARXFP1AURKAAURKB
SCHEMBL1715301 0.81 NPC1 (0.50) TSHRHDAC1NPC1RAB9AAURKA
SCHEMBL1714870 0.79 TSHR (0.46) TSHRPDE5AHIF1ANPC1RAB9A
SCHEMBL1715441 0.79 KDM4C (0.48) PDE5AHIF1A
SCHEMBL1714882 0.77 POLB (0.44) TSHRNPC1RAB9ACSF1R
SCHEMBL1714967 0.77 VNN1 (0.48) HDAC1VNN1NPC1RAB9A

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 17 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
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
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
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 866/4885HDAC1 45/4885PDE5A 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.