SCHEMBL12100263

SCHEMBL12100263

CC1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RORC P51449 2/20 0.37
PPARG P37231 1/20 0.37
CDH1 P12830 1/20 0.36
APC P25054 1/20 0.36
CTNNB1 P35222 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
SCHEMBL12100259 1.00 HPGD (0.39) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100587 0.97 HPGD (0.38) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100336 0.97 HPGD (0.38) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100023 0.91 HPGD (0.40) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100022 0.91 HPGD (0.40) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100828 0.90 NAMPT (0.38) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100829 0.90 NAMPT (0.38) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL9950633 0.87 HPGD (0.48) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL12100757 0.87 HPGD (0.48) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL1458121 0.87 HPGD (0.48) HPGDKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP claimed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US claimed
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885KDM4E 3115/4885ALDH1A1 3714/4885

“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.