SCHEMBL1715636

SCHEMBL1715636

NOC1CCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ACHE P22303 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 2/20 0.32
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12457356 1.00 CA1 (0.43) CA1CA2ACHECA12CA9
SCHEMBL19632110 1.00 CA1 (0.43) CA1CA2ACHECA12CA9
SCHEMBL1831914 1.00
SCHEMBL13827708 1.00 CA1 (0.43) CA1CA2ACHECA12CA9
SCHEMBL441840 1.00
SCHEMBL8017816 0.97
Hydrochloric Acid SCHEMBL435876 0.97
Hydrochloric Acid SCHEMBL10442000 0.97 CA1 (0.42) CA1CA2ACHECA12CA9
SCHEMBL640121 0.96
Hydrochloric Acid SCHEMBL4573840 0.93

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105256-A1 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2009-04-23 US claimed
JP-2007531766-A 2007-11-08 JP 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-1729815-A2 PEGYLATED ION CHANNEL MODULATING COMPOUNDS Cardiome Pharma Corp. (CA) 2006-12-13 EP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005113011-A2 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2005-12-01 WO claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 US disclosed
US-9556161-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2017-01-31 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
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 (3 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT CA1 4558/4885CA2 4636/4885ACHE 3846/4885
US-20090105256-A1 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CACNA1B, CACNA1F, KCNN2 CA1 675/4885CA2 229/4885ACHE 929/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 CA1 492/4885CA2 433/4885ACHE 4761/4885

“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.