SCHEMBL1864666

SCHEMBL1864666

CCOc1ccsc1C(=O)NNC(=O)c1sccc1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 5/20 0.49
GAA P10253 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.40
INPPL1 O15357 1/20 0.40

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
SCHEMBL22408118 0.83 KMT2A (0.69) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1865443 0.83 KMT2A (0.60) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1866492 0.81 KMT2A (0.57) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6655913 0.80 KMT2A (0.69) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22408180 0.79 KMT2A (0.67) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL25983198 0.78 KMT2A (0.70) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1868050 0.78 PKM (0.52) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22408141 0.78 KMT2A (0.65) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1868142 0.78 ALDH1A1 (0.55) KMT2AALDH1A1CYP3A4MEN1GAA
SCHEMBL14140609 0.77 KMT2A (0.52) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19

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-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 KMT2A 3562/4885ALDH1A1 3110/4885CYP1A2 497/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885ALDH1A1 3159/4885CYP1A2 540/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885ALDH1A1 3159/4885CYP1A2 540/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885ALDH1A1 3159/4885CYP1A2 540/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 KMT2A 3589/4885ALDH1A1 3160/4885CYP1A2 525/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3597/4885ALDH1A1 2904/4885CYP1A2 480/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 KMT2A 3617/4885ALDH1A1 2935/4885CYP1A2 230/4885

“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.