SCHEMBL1864971

SCHEMBL1864971

CCCCNC(=S)NNC(=O)c1cccs1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.85
LMNA P02545 2/20 0.72
HDAC3 O15379 1/20 0.68
MAPT P10636 2/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HDAC1 Q13547 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL4045277 0.84 KDM4E (0.81) GAALMNAHDAC3CYP1A2CYP2C9
SCHEMBL27447873 0.81 HDAC3 (1.00) GAALMNAHDAC3ALDH1A1HDAC1
SCHEMBL5246151 0.80 KDM4E (0.78) GAALMNAHDAC3CYP1A2CYP2C9
SCHEMBL6928579 0.79 KDM4E (0.76) GAALMNAHDAC3CYP1A2CYP2C9
SCHEMBL9528874 0.78 MAPT (1.00) GAALMNAMAPTALDH1A1CYP2C9
SCHEMBL3917581 0.77 GAA (0.68) GAALMNAMAPTALDH1A1CYP2C9
SCHEMBL29358739 0.76 HDAC1 (1.00) GAALMNAHDAC3ALDH1A1HDAC1
SCHEMBL1858111 0.75 RAB9A (0.78) GAAMAPTALDH1A1HDAC1SMN1; SMN2
SCHEMBL12629976 0.75 HDAC1 (0.68) GAALMNAHDAC3MAPTALDH1A1
SCHEMBL12666936 0.75 HDAC1 (0.68) GAALMNAHDAC3MAPTALDH1A1

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
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-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 3227/4885LMNA 3658/4885HDAC3 1511/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885LMNA 3684/4885HDAC3 1483/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885LMNA 3684/4885HDAC3 1483/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 GAA 3234/4885LMNA 3684/4885HDAC3 1483/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 GAA 3223/4885LMNA 3656/4885HDAC3 1498/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 GAA 3240/4885LMNA 3839/4885HDAC3 1563/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 GAA 3255/4885LMNA 2977/4885HDAC3 842/4885

“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.