SCHEMBL621537

SCHEMBL621537

O=CN(Oc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
CA4 P22748 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SRC P12931 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL1416070 0.87 ATM (0.31) L3MBTL1TDP1ATMKMT2AGAA
SCHEMBL4581584 0.82 ATM (0.32) L3MBTL1TDP1ATM
SCHEMBL1335025 0.76 KMT2A (0.38) L3MBTL1TDP1ATMKMT2ATSHR
SCHEMBL11020233 0.75 TSHR (0.39) L3MBTL1TDP1ATMKMT2AGAA
SCHEMBL4580263 0.74 LMNA (0.30) KMT2AGAALMNA
SCHEMBL10657839 0.71 CA4 (0.39) L3MBTL1KMT2AGAALMNATSHR
SCHEMBL16236462 0.71 ALDH1A1 (0.33) KMT2ATSHRALDH1A1ALOX15NPSR1
SCHEMBL509868 0.71 ALDH1A1 (0.38) KMT2ALMNATSHRALDH1A1ALOX15
SCHEMBL8392432 0.71 MEN1 (0.34) L3MBTL1KMT2ALMNATSHRALDH1A1
SCHEMBL6936315 0.69 TSHR (0.41) L3MBTL1TDP1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 US claimed
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US claimed
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US claimed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US claimed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 US claimed
WO-2009100323-A2 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY (US) 2009-08-13 WO claimed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US claimed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US claimed
EP-1755586-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS The Regents of the University of California (US) 2007-02-28 EP claimed
WO-2006028523-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO USDC Technology Transfer Office (US) 2006-03-16 WO claimed
WO-2005110399-A2 ZINC-BINDING GROUPS FOR METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-24 WO claimed
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US claimed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US claimed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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 (7 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-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 L3MBTL1 3615/4885TDP1 1837/4885ATM 3996/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 L3MBTL1 497/4885TDP1 2322/4885ATM 4426/4885
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH L3MBTL1 342/4885TDP1 4318/4885ATM 4771/4885
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 L3MBTL1 2283/4885TDP1 84/4885ATM 3547/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 L3MBTL1 497/4885TDP1 2322/4885ATM 4426/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 L3MBTL1 497/4885TDP1 2322/4885ATM 4426/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 L3MBTL1 497/4885TDP1 2322/4885ATM 4426/4885

“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.