SCHEMBL1458645

SCHEMBL1458645

CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CDH1 P12830 1/20 0.51
APC P25054 1/20 0.51
CTNNB1 P35222 1/20 0.51
TCF7L2 Q9NQB0 1/20 0.51
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
NAMPT P43490 7/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 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
SCHEMBL29510177 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12076690 0.90 NAMPT (0.46) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12164879 0.89 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12164968 0.89 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL1458783 0.89 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL1458015 0.89 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL1458018 0.89 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12076834 0.89 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL1458556 0.89 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12100511 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGAA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US claimed
EP-2473504-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2015-02-25 EP claimed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US claimed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP claimed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US claimed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO claimed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 EP claimed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US 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-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-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 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
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US 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
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 (6 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 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 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.