SCHEMBL1458741

SCHEMBL1458741

COC(=O)c1ccc2c(c1)NC(=O)C(c1ccc(F)cc1)N2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.45
HTR7 P34969 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL31038410 0.88 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL1458967 0.88 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL17184421 0.82 TDP1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL10204936 0.81 GAA (0.48) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL30908507 0.78 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL21606298 0.78 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL22963688 0.75 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL29394066 0.75 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL22912782 0.74 MAPT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL29394281 0.74 MAPT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US disclosed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-8916561-B2 Substituted quinoxaline compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 US disclosed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 CN 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 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 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.