SCHEMBL10204232

SCHEMBL10204232

Cc1ccc(N2CCN(c3nc4cc(C(=O)O)ccc4nc3-c3ccccc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 2/20 0.53
HRH4 Q9H3N8 1/20 0.47
NAMPT P43490 11/20 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
SCHEMBL10204234 0.91 NPC1 (0.52) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL10204236 0.88 HPGD (0.55) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1458132 0.86 HPGD (0.55) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1458671 0.85 ALDH1A1 (0.57) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL10204089 0.85 HPGD (0.60) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1457979 0.85 HTT (0.53) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1458599 0.83 HRH4 (0.70) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1458824 0.82 ALDH1A1 (0.56) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL10204110 0.82 HPGD (0.56) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL1457958 0.82 HPGD (0.64) HPGDALDH1A1KDM4EGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US 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 (3 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-20160229815-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

“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.