SCHEMBL2582594

SCHEMBL2582594

O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
KDM4E B2RXH2 4/20 1.00
POLB P06746 3/20 1.00
RECQL P46063 2/20 1.00
NPC1 O15118 1/20 1.00
THRB P10828 1/20 1.00
RAB9A P51151 1/20 1.00
ATM Q13315 1/20 1.00
COMT P21964 2/20 0.93
MMP2 P08253 1/20 0.93
MMP9 P14780 1/20 0.93
MMP8 P22894 1/20 0.93
MMP13 P45452 1/20 0.93
TP53 P04637 5/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
ALDH1A1 P00352 2/20 0.75
HPSE Q9Y251 1/20 0.74
LMNA P02545 1/20 0.71

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
SCHEMBL31578829 1.00 MAPT (1.00) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL2250333 0.96 COMT (1.00) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL17498803 0.95 MAPT (0.91) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12113071 0.94 MAPT (0.89) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL20512985 0.93 MAPT (0.87) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL17498773 0.92 MAPT (0.85) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL19507467 0.89 KDM4E (0.84) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL16147976 0.88 MAPT (0.78) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12351223 0.87 COMT (0.79) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL17705602 0.87 MMP2 (0.80) MAPTKMT2AMEN1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP claimed
WO-2011140215-A2 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 WO claimed
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 claimed
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-13 US disclosed
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-13 US disclosed
EP-2567225-B1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2019-10-02 EP disclosed
EP-2567225-B1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2019-10-02 EP disclosed
US-10286070-B2 Oncostatin M (OSM) antagonists for preventing cancer metastasis and IL-6 related disorders BOISE STATE UNIVERSITY (US) 2019-05-14 US disclosed
US-9101573-B2 Lanthionine synthetase component C-like proteins as molecular targets for preventing and treating diseases and disorders VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-11 US 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
EP-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP disclosed
WO-2011140215-A2 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10286070-B2 Oncostatin M (OSM) antagonists for preventing cancer metastasis and IL-6 related disorders IL6, OGFRL1, OGFR MAPT 2503/4885KMT2A 1658/4885MEN1 2377/4885
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS LANCL2, ACSL1, LANCL1 MAPT 4166/4885KMT2A 4112/4885MEN1 4389/4885
US-11529354-B2 Methods and compositions for the treatment of tuberculosis IFNG, FNTB, TYMS MAPT 1469/4885KMT2A 4328/4885MEN1 3654/4885
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS IFNG, FNTB, TYMS MAPT 1469/4885KMT2A 4328/4885MEN1 3654/4885

“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.