SCHEMBL1865862

SCHEMBL1865862

O=C(NNC(=O)c1sccc1Cl)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
AGTR1 P30556 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL12666399 0.85 KMT2A (0.51) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL1859781 0.85 GAA (0.69) GAAALDH1A1MAPTAGTR1TDP1
SCHEMBL1863260 0.79 TP53 (0.63) GAAALDH1A1MAPTAGTR1TDP1
SCHEMBL1865773 0.78 RAB9A (0.62) GAAALDH1A1MAPTTDP1KMT2A
SCHEMBL27572930 0.75 F2 (0.52) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4942296 0.74 GAA (0.69) GAAALDH1A1MAPTAGTR1TDP1
SCHEMBL3622444 0.73 MEN1 (0.73) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL13485774 0.72 GAA (0.57) GAAALDH1A1MAPTAGTR1TDP1
SCHEMBL4947172 0.72 TDP1 (0.64) GAAALDH1A1MAPTAGTR1TDP1
SCHEMBL7970243 0.71 GAA (0.56) GAAALDH1A1MAPTAGTR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
EP-1478364-B1 SELECTIVE ANTIBACTERIAL AGENTS QUONOVA LLC (US) 2009-09-16 EP disclosed
EP-1478364-B1 SELECTIVE ANTIBACTERIAL AGENTS QUONOVA LLC (US) 2009-09-16 EP disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 EP disclosed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US disclosed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3227/4885ALDH1A1 3110/4885MAPT 4855/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885ALDH1A1 3159/4885MAPT 4855/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885ALDH1A1 3159/4885MAPT 4855/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885ALDH1A1 3159/4885MAPT 4855/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 GAA 3223/4885ALDH1A1 3160/4885MAPT 4856/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3240/4885ALDH1A1 2904/4885MAPT 4857/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 GAA 3255/4885ALDH1A1 2935/4885MAPT 4848/4885

“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.