SCHEMBL1720516

SCHEMBL1720516

COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
APAF1 O14727 1/20 1.00
RECQL P46063 1/20 1.00
CASP6 P55212 1/20 1.00
CACNA1B Q00975 1/20 1.00
APBA1 Q02410 1/20 1.00
MCL1 Q07820 1/20 1.00
CASP8 Q14790 1/20 1.00
CDC25B P30305 2/20 0.68
FABP4 P15090 3/20 0.64
FABP3 P05413 2/20 0.64
FABP5 Q01469 2/20 0.64
AKR1C3 P42330 6/20 0.61
AKR1C2 P52895 6/20 0.61
CLCN2 P51788 1/20 0.56
CHEK1 O14757 1/20 0.56
PIM1 P11309 1/20 0.56
MAPK8 P45983 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
CTSV O60911 1/20 0.53

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
SCHEMBL29441241 1.00 KDM4E (1.00) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL9953717 0.92 KDM4E (0.85) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL9953689 0.91 KDM4E (0.83) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL23286069 0.91 KDM4E (0.83) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL10074402 0.89 KDM4E (0.79) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL10075677 0.88 KDM4E (0.79) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL10074883 0.88 KDM4E (0.77) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL9954168 0.88 KDM4E (0.77) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL9952450 0.87 KDM4E (0.77) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL19341855 0.87 KDM4E (0.76) KDM4EAPAF1RECQLCASP6CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4302833-A2 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION Augusta University Research Institute, Inc. (US) 2024-01-10 EP claimed
EP-3548022-B1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION UNIV RES INST INC AUGUSTA (US) 2023-11-22 EP claimed
EP-3548022-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION Augusta University Research Institute, Inc. (US) 2019-10-09 EP claimed
WO-2018100556-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2018-06-07 WO claimed
US-20180153898-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2018-06-07 US claimed
EP-2655334-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES Eutropics Pharmaceuticals, Inc. (US) 2013-10-30 EP claimed
US-20120225851-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES EUTROPICS PHARMACEUTICALS, INC. (US) 2012-09-06 US claimed
WO-2012088438-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES EUTROPICS PHARMACEUTICALS, INC. (US) 2012-06-28 WO claimed
EP-4302833-A2 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION Augusta University Research Institute, Inc. (US) 2024-01-10 EP disclosed
EP-3548022-B1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION UNIV RES INST INC AUGUSTA (US) 2023-11-22 EP disclosed
US-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA RHIZEN PHARMACEUTICALS AG (CH) 2022-12-08 US disclosed
US-20210379070-A1 MALONATE SALT OF VARLITINIB ASLAN PHARMACEUTICALS PTE LTD (SG) 2021-12-09 US disclosed
US-20200147091-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-14 US disclosed
US-10548895-B2 Ligands that target Plasmodium sporozoite binding sites on CD81 and therapeutic methods using them THE AMERICAN UNIVERSITY IN CAIRO (EG) 2020-02-04 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 US disclosed
EP-2319936-A2 Yeast screens for agents affecting protein folding The University of Chicago (US) 2011-05-11 EP disclosed
EP-1392849-B1 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING UNIV CHICAGO (US) 2008-01-02 EP disclosed
EP-1793001-A2 Yeast screens for agents affecting protein folding The University of Chicago (US) 2007-06-06 EP disclosed
EP-1392849-A2 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING THE UNIVERSITY OF CHICAGO (US) 2004-03-03 EP disclosed
WO-2002065136-A2 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING UNIVERSITY OF CHICAGO (US) 2002-08-22 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 (5 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-20120225851-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES MCL1, BCL3, BCL9 KDM4E 1427/4885APAF1 111/4885RECQL 627/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR KDM4E 1861/4885APAF1 1823/4885RECQL 962/4885
US-20210379070-A1 MALONATE SALT OF VARLITINIB KRAS, JAK1, JAK2 KDM4E 663/4885APAF1 4073/4885RECQL 3077/4885
US-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA DHODH, FLT3, IDH3A KDM4E 232/4885APAF1 2155/4885RECQL 266/4885
US-10548895-B2 Ligands that target Plasmodium sporozoite binding sites on CD81 and therapeutic methods using them CD81, HAVCR2, SELPLG KDM4E 4814/4885APAF1 153/4885RECQL 4125/4885

“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.