SCHEMBL1253166

SCHEMBL1253166

CNCc1ccc(OC)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 2/20 0.57
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
AOC3 Q16853 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL28916493 0.86 KDM4E (0.73) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL8536580 0.83 CA1 (0.44) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL8910900 0.83 AOC3 (0.56) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL29875218 0.82 ALDH1A1 (0.58) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL680393 0.82 ALDH1A1 (0.58) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL21225034 0.80 KDM4E (0.57) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL30883 0.77 AOC3 (0.55) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL25488857 0.77 KDM4E (0.62) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL25488853 0.77 KDM4E (0.62) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL2971173 0.75 KDM4E (0.56) KDM4ESMN1; SMN2TSHRALDH1A1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 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-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 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
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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 (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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR KDM4E 310/4885SMN1; SMN2 4813/4885TSHR 3648/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA KDM4E 3723/4885SMN1; SMN2 3407/4885TSHR 3737/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF KDM4E 4139/4885SMN1; SMN2 4007/4885TSHR 4796/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF KDM4E 4139/4885SMN1; SMN2 4007/4885TSHR 4796/4885

“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.