SCHEMBL1458828

SCHEMBL1458828

COCC1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SYK P43405 1/20 0.45
MAPT P10636 2/20 0.44
NAMPT P43490 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CRHR1 P34998 1/20 0.42

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
SCHEMBL9949901 1.00 HPGD (0.52) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL9949929 0.93 HPGD (0.51) HPGDALDH1A1KDM4EGAASYK
SCHEMBL9950199 0.93 HPGD (0.51) HPGDALDH1A1KDM4EGAASYK
SCHEMBL1458137 0.93 HPGD (0.51) HPGDALDH1A1KDM4EGAASYK
SCHEMBL9950348 0.92 NAMPT (0.47) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1458917 0.92 NAMPT (0.47) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL9950328 0.88 HPGD (0.55) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1459881 0.88 HPGD (0.55) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1457983 0.88 HPGD (0.55) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL12099969 0.85 SYK (0.41) HPGDALDH1A1KDM4EGAASYK

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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US claimed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 EP claimed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 WO claimed
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2022-10-04 US disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US disclosed
US-9193693-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2015-11-24 US disclosed
EP-2473504-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2015-02-25 EP disclosed
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-01-29 US disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 EP disclosed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US disclosed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 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 (7 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-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HPGD 824/4885ALDH1A1 3714/4885KDM4E 3115/4885

“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.