SCHEMBL1866588

SCHEMBL1866588

O=C(CCCCCBr)NNC(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
CYP2C19 P33261 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
CYP2C9 P11712 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 4/20 0.55
HDAC1 Q13547 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 1/20 0.49
ELANE P08246 1/20 0.49

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
SCHEMBL12666936 0.86 HDAC1 (0.68) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL12629976 0.86 HDAC1 (0.68) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL7363461 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL1862342 0.79 ALDH1A1 (0.72) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL27082415 0.79 ALDH1A1 (1.00) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL7741680 0.79 HPGD (0.73) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL4851426 0.79 HPGD (0.73) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL1858111 0.78 RAB9A (0.78) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL1862451 0.76 TDP1 (0.50) ALDH1A1CYP2C19KMT2AMEN1CYP2C9
SCHEMBL6771140 0.75 ALDH1A1 (0.67) ALDH1A1CYP2C19KMT2AMEN1CYP2C9

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 39 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-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 ALDH1A1 3110/4885CYP2C19 2063/4885KMT2A 3562/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3159/4885CYP2C19 2140/4885KMT2A 3588/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3159/4885CYP2C19 2140/4885KMT2A 3588/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 3159/4885CYP2C19 2140/4885KMT2A 3588/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 ALDH1A1 3160/4885CYP2C19 2135/4885KMT2A 3589/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 ALDH1A1 2904/4885CYP2C19 2188/4885KMT2A 3597/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 ALDH1A1 2935/4885CYP2C19 1685/4885KMT2A 3617/4885

“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.