SCHEMBL1458739

SCHEMBL1458739

CC(=O)NC1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.58
▸ CKS1B P61024 2/20 0.54
▸ SKP1 P63208 2/20 0.54
▸ SKP2 Q13309 2/20 0.54
▸ HPGD P15428 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NAMPT P43490 12/20 0.49
▸ MAPT P10636 1/20 0.47

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
SCHEMBL1458738 0.91 CKS1B (0.52) EGLN1CKS1BSKP1SKP2HPGD
SCHEMBL1458052 0.84 HPGD (0.60) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1457982 0.83 HPGD (0.53) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458599 0.82 HRH4 (0.70) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458839 0.81 HPGD (0.66) EGLN1HPGDALDH1A1KDM4ENPC1
SCHEMBL1457962 0.81 HPGD (0.66) EGLN1HPGDALDH1A1KDM4ENPC1
SCHEMBL1458615 0.81 HPGD (0.66) EGLN1HPGDALDH1A1KDM4ENPC1
SCHEMBL1458918 0.81 HPGD (0.66) EGLN1HPGDALDH1A1KDM4ENPC1
SCHEMBL9950668 0.81 NAMPT (0.62) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL9950344 0.81 NAMPT (0.62) HPGDALDH1A1KDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 — — US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 — — US 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
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
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 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 EGLN1 571/4885CKS1B 217/4885SKP1 664/4885

“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.

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