SCHEMBL621536

SCHEMBL621536

O=[C]N(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

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
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA4 P22748 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
HPGD P15428 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PTGES O14684 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
SCHEMBL1335024 0.76 KMT2A (0.38) L3MBTL1TDP1ATMTSHRALDH1A1
SCHEMBL7061165 0.74 APP (0.41) L3MBTL1TDP1ATMLTA4HTSHR
SCHEMBL6678696 0.71 CA4 (0.39) L3MBTL1TDP1ATMLTA4HTSHR
SCHEMBL8392430 0.71 MEN1 (0.34) L3MBTL1TSHRALDH1A1ALOX15NPSR1
SCHEMBL9033853 0.71 ALDH1A1 (0.31) TSHRALDH1A1ALOX15NPSR1HTT
SCHEMBL4634276 0.71 ALDH1A1 (0.38) L3MBTL1TDP1ATMTSHRALDH1A1
SCHEMBL3246276 0.69 NPSR1 (0.39) L3MBTL1TDP1ATMTSHRALDH1A1
SCHEMBL18570099 0.69 LTA4H (0.43) L3MBTL1TDP1ATMLTA4HTSHR
SCHEMBL11078957 0.67 L3MBTL1 (0.43) L3MBTL1LTA4HTSHRALDH1A1ALOX15
SCHEMBL104821 0.66 ALDH1A1 (0.42) L3MBTL1TDP1ATMTSHRALDH1A1

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 43 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
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 EP 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
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 WO 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-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
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 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 (6 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-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.