SCHEMBL1864649

SCHEMBL1864649

O=C(NNC(=O)c1cccs1)c1ccc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
GAA P10253 4/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL1858111 0.82 RAB9A (0.78) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL3171103 0.80 HPGDS (0.56) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL3827970 0.78 RAB9A (0.50) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL4739925 0.75 RAB9A (0.73) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL5753873 0.75 KCNMA1 (0.46) RAB9AALDH1A1MAPTKMT2ANPC1
SCHEMBL28588454 0.75 MEN1 (0.59) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL7060779 0.74 RAB9A (0.66) RAB9AHDAC1ALDH1A1MAPTKMT2A
SCHEMBL7059348 0.73 RAB9A (1.00) RAB9AALDH1A1MAPTKMT2ANPC1
SCHEMBL9536998 0.73 CES2 (0.45) RAB9AHDAC1ALDH1A1KMT2ANPC1
SCHEMBL1724937 0.72 MAPT (0.67) RAB9AHDAC1ALDH1A1MAPTKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478364-B1 SELECTIVE ANTIBACTERIAL AGENTS QUONOVA LLC (US) 2009-09-16 EP claimed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 EP claimed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US claimed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 WO claimed
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
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-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080194588-A1 Modulation of pathogcnicity QUONOVA, LLC 2008-08-14 US disclosed
US-20080194607-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-14 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188491-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 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-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 (12 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-20080194588-A1 Modulation of pathogcnicity NR4A1, NR4A2, NR3C2 RAB9A 4557/4885HDAC1 1873/4885ALDH1A1 1808/4885
US-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4031/4885HDAC1 1920/4885ALDH1A1 3110/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 RAB9A 4013/4885HDAC1 1942/4885ALDH1A1 3160/4885
US-20080188491-A1 Modulation of pathogenicity NR4A1, MSR1, NR4A2 RAB9A 4064/4885HDAC1 1563/4885ALDH1A1 2806/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885HDAC1 1930/4885ALDH1A1 3159/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 3999/4885HDAC1 1827/4885ALDH1A1 2904/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 RAB9A 3056/4885HDAC1 1193/4885ALDH1A1 2935/4885

“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.