SCHEMBL1859778

SCHEMBL1859778

O=C(NNC(=O)c1cccs1)c1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 2/20 0.63
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 5/20 0.58
GAA P10253 4/20 0.58
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 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
SCHEMBL7174674 0.83 MEN1 (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL7203066 0.82 ERCC5 (0.56) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL5591953 0.81 HPGDS (0.62) RAB9AMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL7059348 0.80 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1867503 0.80 GAA (0.60) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL1858111 0.80 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL15137067 0.77 MEN1 (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL2529744 0.77 LMNA (0.69) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12857778 0.77 RAB9A (0.67) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12857660 0.76 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1TDP1

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
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-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 RAB9A 4031/4885MAPT 4855/4885SMN1; SMN2 2316/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885MAPT 4855/4885SMN1; SMN2 2336/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885MAPT 4855/4885SMN1; SMN2 2336/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 RAB9A 4013/4885MAPT 4856/4885SMN1; SMN2 2331/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 3999/4885MAPT 4857/4885SMN1; SMN2 2207/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 RAB9A 3056/4885MAPT 4848/4885SMN1; SMN2 2492/4885

“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.