SCHEMBL1715801

SCHEMBL1715801

O=C(O)c1ccccc1NCc1ccc2occc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AURKA O14965 1/20 0.54
RPS6KB1 P23443 1/20 0.54
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53
FABP5 Q01469 1/20 0.53
PLK1 P53350 1/20 0.49
KDM4E B2RXH2 2/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
KDM4C Q9H3R0 3/20 0.44
CDC7 O00311 2/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL1715258 0.83 AURKA (0.49) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL15839779 0.83 KDM4C (0.61) AURKARPS6KB1KDM4EKDM4CKDM5B
SCHEMBL1714376 0.82 DRD4 (0.57) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL7524521 0.81 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL1715129 0.79 AURKA (0.47) L3MBTL1AURKARPS6KB1KDM4EAGTR1
SCHEMBL1715411 0.76 AURKA (0.47) AURKARPS6KB1FABP3FABP4FABP5
SCHEMBL11498895 0.76 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL2691864 0.75 HSD17B10 (0.81) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL2276797 0.75 LTC4S (0.49) FABP3FABP4FABP5PLK1RAB9A
SCHEMBL2936741 0.75 AURKA (0.48) POLBAURKARPS6KB1CTNNB1WNT3A

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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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
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 ALDH1A1 804/4885HPGD 301/4885HSD17B10 249/4885

“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.