SCHEMBL726940

SCHEMBL726940

C=CC(=O)N(C)Cc1c(C)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HTR6 P50406 2/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PABPC1 P11940 1/20 0.45
ALOX15 P16050 1/20 0.45
SLC2A1 P11166 1/20 0.44
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3297390 0.85 ALOX5 (0.43) MAPTCYP3A4ALDH1A1KDM4EGAA
2-Methyl Gramine SCHEMBL2519973 0.77 MAPT (1.00) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL726718 0.77 MAPT (0.49) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL726717 0.77 MAPT (0.49) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL726426 0.75 MAPT (0.47) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL726425 0.75 MAPT (0.47) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL1093103 0.74 ALDH1A1 (0.59) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL22010503 0.73 CA2 (0.43) KMT2A
SCHEMBL15999425 0.72 HDAC6 (0.44) MAPTALDH1A1KDM4EGAAHTT
Hydrochloric Acid SCHEMBL29958615 0.72 CA2 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 US disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 MAPT 2755/4885CYP3A4 3624/4885ALDH1A1 745/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 MAPT 4105/4885CYP3A4 3590/4885ALDH1A1 4020/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MAPT 3883/4885CYP3A4 4356/4885ALDH1A1 4188/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 MAPT 4135/4885CYP3A4 3447/4885ALDH1A1 3962/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF MAPT 3883/4885CYP3A4 4356/4885ALDH1A1 4188/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MAPT 4105/4885CYP3A4 3590/4885ALDH1A1 4020/4885

“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.