SCHEMBL1865490

SCHEMBL1865490

O=C(NNC(=O)c1sccc1Br)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP2C9 P11712 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
MAPK10 P53779 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL13679209 0.82 GAA (0.58) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1868142 0.76 ALDH1A1 (0.55) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1863520 0.74 GAA (1.00) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1864184 0.74 GAA (0.61) GAAKDM4ERAB9ANPC1KMT2A
SCHEMBL13809683 0.73 GAA (0.51) GAAKDM4ERAB9ANPC1MAPK1
SCHEMBL13679210 0.72 RAB9A (0.55) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27996731 0.72 SMN1; SMN2 (0.73) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1347376 0.72 GAA (0.65) GAASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1859594 0.70 SMN1; SMN2 (0.52) GAASMN1; SMN2KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL9825967 0.70 KDM4E (0.48) GAAKDM4ERAB9ANPC1MAPK1

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 37 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
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-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-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 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
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US 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 3227/4885SMN1; SMN2 2316/4885KDM4E 3680/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885SMN1; SMN2 2336/4885KDM4E 3715/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885SMN1; SMN2 2336/4885KDM4E 3715/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885SMN1; SMN2 2336/4885KDM4E 3715/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 GAA 3223/4885SMN1; SMN2 2331/4885KDM4E 3712/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3240/4885SMN1; SMN2 2207/4885KDM4E 3704/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 GAA 3255/4885SMN1; SMN2 2492/4885KDM4E 3783/4885

“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.