SCHEMBL1715728

SCHEMBL1715728

N#Cc1ccc(CON)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.59
AGXT P21549 2/20 0.59
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP19A1 P11511 1/20 0.37
RORC P51449 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL1715723 0.98 IDO1 (0.61) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL3641589 0.82 NR3C1 (0.43) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL29506809 0.82 NR3C1 (0.43) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL21086643 0.82 FFAR1 (0.39) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL31371238 0.82 IDO1 (0.59) IDO1AGXT
SCHEMBL5047708 0.79 LOXL2 (0.47) FFAR1FFAR4NR3C1PGRNR3C2
SCHEMBL23286837 0.79 FFAR1 (0.40) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL25404947 0.79 RORC (0.38) IDO1AGXTFFAR1FFAR4NR3C1
SCHEMBL1714779 0.79 IDO1 (0.48) IDO1AGXT
SCHEMBL1715796 0.79 IDO1 (0.59) IDO1AGXT

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 12 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
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
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
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 IDO1 3029/4885AGXT 131/4885FFAR1 124/4885

“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.