SCHEMBL2583091

SCHEMBL2583091

O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ BRD4 O60885 3/20 0.56
▸ ALOX12 P18054 1/20 0.55
▸ PARP1 P09874 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SOS1 Q07889 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL30516131 1.00 CYP2C9 (1.00) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL30625698 0.91 KDM4E (0.83) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL17273902 0.84 KMT2A (0.70) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL20211622 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL15537236 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL30516134 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL4969510 0.70 PARP1 (1.00) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL18132580 0.70 MAPT (0.73) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL22173221 0.70 MAPT (0.68) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL25149031 0.70 LMNA (1.00) CYP2C9MEN1KMT2ACYP3A4ALOX12

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 28 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
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 — — CN claimed
US-20200147091-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-14 — — US claimed
EP-3548022-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION Augusta University Research Institute, Inc. (US) 2019-10-09 — — EP claimed
US-20180153898-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2018-06-07 — — US claimed
WO-2018100556-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2018-06-07 — — WO claimed
US-20150337018-A1 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2015-11-26 — — US claimed
EP-2897632-A2 COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS Universidad Andres Bello (CL) 2015-07-29 — — EP claimed
WO-2013179264-A2 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2013-12-05 — — 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
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 — — CN disclosed
US-20200147091-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-14 — — US disclosed
EP-3548022-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION Augusta University Research Institute, Inc. (US) 2019-10-09 — — EP disclosed
EP-2897632-A2 COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS Universidad Andres Bello (CL) 2015-07-29 — — EP disclosed
WO-2013179264-A2 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2013-12-05 — — WO disclosed
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 — — US disclosed
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 — — US disclosed
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 — — 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 (1 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-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS LANCL2, ACSL1, LANCL1 CYP2C9 4737/4885MEN1 4389/4885KMT2A 4112/4885

“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.

Send feedback