SCHEMBL3566514

SCHEMBL3566514

COc1cccc2c(C(=O)O)c[nH]c12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.83
HPGD P15428 4/20 0.83
KDM4E B2RXH2 3/20 0.83
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
MCL1 Q07820 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
BRPF1 P55201 1/20 0.53
NR4A2 P43354 2/20 0.53
HTR2A P28223 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL7509122 0.91 KDM4E (1.00) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL5446777 0.90 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMEN1POLB
Hydrochloric Acid SCHEMBL30353212 0.90 ALDH1A1 (0.97) ALDH1A1HPGDKDM4EMEN1POLB
Ammonia Solution, Strong SCHEMBL28187483 0.90 ALDH1A1 (0.97) ALDH1A1HPGDKDM4EMEN1POLB
Fluoride SCHEMBL5823412 0.88 ALDH1A1 (0.94) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL14410811 0.87 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL9936554 0.87 NR4A2 (0.70) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL5823415 0.86 KDM4E (0.90) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL6029339 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL27436908 0.84 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
US-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 US claimed
EP-1239882-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 EP claimed
WO-2001045685-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
EP-0491664-B1 Indole derivatives as serotonin antagonists CIBA GEIGY AG (CH) 1998-03-04 EP claimed
JP-4308590-A None JP disclosed
WO-2018009539-A1 INHIBITORS OF HEXOKINASE AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2018-01-11 WO disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
EP-0491664-B1 Indole derivatives as serotonin antagonists CIBA GEIGY AG (CH) 1998-03-04 EP disclosed
WO-1997010823-A1 5-HT3 RECEPTOR ANTAGONISTS FOR DYSKINESIA GLAXO GROUP LIMITED (GB) 1997-03-27 WO disclosed
US-5543426-A Use of certain 3,7-disubstituted indole compounds for treating depression or cognitive disorders SANDOZ LTD. (CH) 1996-08-06 US disclosed
US-5272154-A 3,7 substituted indole and indazole compounds and pharmaceutical compositions containing them SANDOZ LTD. (CH) 1993-12-21 US disclosed
JP-H04308590-A SERETONINE ANTAGONIST SANDOZ AG 1992-10-30 JP disclosed
EP-0491664-A1 Serotonin antagonists SANDOZ LTD. (CH) 1992-06-24 EP disclosed
US-4966913-A FOR FALL ARMYWORM AND EUROPEAN CORN BORER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-10-30 US disclosed
US-4942247-A SULFIDE DERIVATIVES OF NITRILES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-07-17 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-20030018008-A1 Formulations of adenosine a1 agonists ADORA1, ADORA3, ADORA2A ALDH1A1 346/4885HPGD 1618/4885KDM4E 3640/4885
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 ALDH1A1 1525/4885HPGD 1919/4885KDM4E 3461/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 ALDH1A1 1497/4885HPGD 1391/4885KDM4E 3528/4885

“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.