SCHEMBL1716082

SCHEMBL1716082

COc1ccccc1CNc1ncccc1C(=O)NOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL1715425 0.93 MAPT (0.49) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1715521 0.85 KDR (0.55) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1714828 0.85 NPC1 (0.50) NPC1RAB9AMAPTKDM4EAURKA
SCHEMBL1715544 0.84 MEN1 (0.60) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1714982 0.84 MEN1 (0.60) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1376602 0.83 KDM4E (0.59) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1714760 0.82 MAPK8 (0.56) NPC1RAB9AMAPTNPSR1MEN1
SCHEMBL1715324 0.82 PDPK1 (0.55) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL1715758 0.81 KDR (0.62) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1715449 0.81 MEN1 (0.54) NPC1RAB9AMAPTNPSR1AURKA

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 11 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
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
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 NPC1 2834/4885RAB9A 152/4885MAPT 4681/4885

“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.