SCHEMBL1868142

SCHEMBL1868142

CCOc1ccsc1C(=O)NNC(=O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 2/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 3/20 0.48
HDAC3 O15379 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
SCHEMBL1866492 0.78 KMT2A (0.57) ALDH1A1CYP3A4CYP2D6CYP2C9RECQL
SCHEMBL1865443 0.78 KMT2A (0.60) ALDH1A1CYP3A4CYP2C9KMT2AGAA
SCHEMBL1864666 0.78 KMT2A (0.60) ALDH1A1CYP3A4KMT2AGAAMEN1
SCHEMBL13679209 0.76 GAA (0.58) ALDH1A1CYP2C9KMT2AGAAMEN1
SCHEMBL1865490 0.76 GAA (0.58) ALDH1A1CYP2C9KMT2AGAAMEN1
SCHEMBL22408118 0.75 KMT2A (0.69) ALDH1A1CYP3A4KMT2AGAAMEN1
SCHEMBL6655913 0.75 KMT2A (0.69) ALDH1A1CYP3A4KMT2AGAAMEN1
SCHEMBL22408180 0.74 KMT2A (0.67) ALDH1A1CYP3A4KMT2AGAAMEN1
SCHEMBL14082502 0.73 KMT2A (0.51) ALDH1A1CYP3A4KMT2AGAAMEN1
SCHEMBL25983198 0.73 KMT2A (0.70) ALDH1A1CYP3A4KMT2AGAAMEN1

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-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-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 (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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3110/4885CYP3A4 204/4885CYP2D6 1339/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3159/4885CYP3A4 219/4885CYP2D6 1405/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3159/4885CYP3A4 219/4885CYP2D6 1405/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 ALDH1A1 3160/4885CYP3A4 219/4885CYP2D6 1394/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 2904/4885CYP3A4 206/4885CYP2D6 1293/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 ALDH1A1 2935/4885CYP3A4 270/4885CYP2D6 726/4885

“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.