SCHEMBL6291531

SCHEMBL6291531

O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
HPGD P15428 10/20 1.00
KDM4E B2RXH2 8/20 1.00
GAA P10253 6/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NPC1 O15118 1/20 1.00
MAPT P10636 5/20 0.73
CDH1 P12830 1/20 0.73
APC P25054 1/20 0.73
CTNNB1 P35222 1/20 0.73
TCF7L2 Q9NQB0 1/20 0.73
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
PKM P14618 1/20 0.65
HTT P42858 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
LMNA P02545 1/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL30555665 1.00 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15666427 0.97 HPGD (0.93) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665863 0.97 HPGD (0.93) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665725 0.94 HPGD (0.88) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665929 0.92 ALDH1A1 (0.85) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665854 0.92 HPGD (0.85) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL11623030 0.91 ALDH1A1 (0.82) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665468 0.91 CDH1 (0.91) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL11621542 0.91 ALDH1A1 (0.82) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665960 0.91 ALDH1A1 (0.91) ALDH1A1HPGDKDM4EGAARAB9A

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
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
US-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 US disclosed
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-16 US disclosed
US-9370522-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2016-06-21 US disclosed
US-20150141422-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-05-21 US disclosed
US-20150141422-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-05-21 US disclosed
US-20150141422-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-05-21 US disclosed
US-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-08 US disclosed
US-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-08 US disclosed
US-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-08 US disclosed
US-6974857-B1 End-capped quinoxaline-containing hyperbranched aromatic poly(ether-ketones) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2005-12-13 US disclosed
US-6608171-B1 Containing solubilizing pendant groups or flexible units; processability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-08-19 US disclosed
US-6541633-B1 2,3-bis(3-amino-4-hydroxy or 4-mercapto or 4-NH2.HCLphenyl)quinoxaline-6- carboxylic acid dihydrochloride monomer, which self-polymerizes to form hyperbranched polybenzoxazoles, polybenzothizoles etc. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-04-01 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 (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-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION GCDH, HPGD, HAGH ALDH1A1 86/4885HPGD 2/4885KDM4E 3208/4885
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY GLS, REN, PTGS1 ALDH1A1 385/4885HPGD 4/4885KDM4E 4152/4885
US-20150141422-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS ALDH1A1 136/4885HPGD 1/4885KDM4E 3261/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS ALDH1A1 136/4885HPGD 1/4885KDM4E 3261/4885
US-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3255/4885HPGD 597/4885KDM4E 3233/4885

“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.