SCHEMBL3735933

SCHEMBL3735933

CCCCCCCCCC(=O)CC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
JAK2 O60674 1/20 0.49
PAX8 Q06710 1/20 0.49
HAO1 Q9UJM8 1/20 0.49
EPHX2 P34913 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
TACR1 P25103 1/20 0.45
MAPT P10636 1/20 0.44
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43
SOAT1 P35610 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
SCHEMBL10982053 0.94 NPSR1 (0.49) NPC1RAB9AJAK2PAX8CES2
SCHEMBL12472589 0.87 NPC1 (0.54) NPC1RAB9AJAK2PAX8EPHX2
SCHEMBL10603328 0.87 TP53 (0.54) NPC1RAB9AJAK2PAX8CES2
SCHEMBL18240146 0.87 NPC1 (0.54) NPC1RAB9AJAK2PAX8EPHX2
SCHEMBL18240156 0.87 NPC1 (0.54) NPC1RAB9AJAK2PAX8EPHX2
SCHEMBL28533625 0.87 NPC1 (0.54) NPC1RAB9AJAK2PAX8EPHX2
SCHEMBL7643097 0.87 NPC1 (0.54) NPC1RAB9AJAK2PAX8EPHX2
SCHEMBL3735202 0.86 EPHX2 (0.50) NPC1RAB9AJAK2PAX8HAO1
SCHEMBL3742708 0.86 EPHX2 (0.50) NPC1RAB9AJAK2PAX8HAO1
SCHEMBL2984167 0.85 NPC1 (0.53) NPC1RAB9AJAK2PAX8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885JAK2 894/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885JAK2 894/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885JAK2 2967/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH NPC1 302/4885RAB9A 470/4885JAK2 3251/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885JAK2 894/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885JAK2 2967/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NPC1 3826/4885RAB9A 1224/4885JAK2 894/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NPC1 675/4885RAB9A 1938/4885JAK2 2967/4885

“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.