SCHEMBL1863176

SCHEMBL1863176

CCCCCCC(=O)CC(=O)Nc1sccc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.46
CNR2 P34972 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK10 P53779 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL1868477 1.00 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3734726 1.00 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4958305 0.85 NPC1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13040501 0.84 KMT2A (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7930548 0.78 KMT2A (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8550652 0.77 KMT2A (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4154527 0.76 KMT2A (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4752212 0.75 NPC1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7306619 0.75 KMT2A (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4753012 0.75 KMT2A (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 25 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-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280034-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-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-20080188535-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-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 WO disclosed
EP-1475092-A1 Blockers of the quorum sensing system of Gram-negative bacteria 4SC AG (DE) 2004-11-10 EP 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 (17 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 NPC1 1607/4885RAB9A 4557/4885KMT2A 3684/4885
US-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 512/4885RAB9A 4031/4885KMT2A 3562/4885
US-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885KMT2A 4236/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885KMT2A 4236/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885KMT2A 2108/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH NPC1 302/4885RAB9A 470/4885KMT2A 2689/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20080188491-A1 Modulation of pathogenicity NR4A1, MSR1, NR4A2 NPC1 507/4885RAB9A 4064/4885KMT2A 3525/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885KMT2A 2108/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NPC1 503/4885RAB9A 4032/4885KMT2A 3588/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885KMT2A 4236/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 NPC1 143/4885RAB9A 3056/4885KMT2A 3617/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885KMT2A 2108/4885

“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.