SCHEMBL13041347

SCHEMBL13041347

CCCCCCC(=O)CC(=O)Nc1cc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CNR1 P21554 1/20 0.40
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39

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
SCHEMBL14324924 0.81 CCNA2 (0.52) MAPK1
SCHEMBL4421326 0.77 LMNA (0.42) RAB9AL3MBTL1LMNAPOLB
SCHEMBL1863655 0.75 ATM (0.57) DEGS1RAB9ANPC1GLAMAPK1
SCHEMBL1863837 0.75 ATM (0.57) DEGS1RAB9ANPC1GLAMAPK1
SCHEMBL13914963 0.75 GAA (0.62) DEGS1RAB9ANPC1GLAMAPK1
SCHEMBL16596335 0.74 DEGS1 (0.51) DEGS1RAB9ANPC1GLAMAPK1
SCHEMBL14255022 0.73 HDAC4 (0.62)
SCHEMBL18328436 0.72 HPGD (0.62) RAB9ALMNAPOLBSOAT2SOAT1
SCHEMBL18328433 0.72 LMNA (0.49) DEGS1RAB9ANPC1GLAMAPK1
SCHEMBL1868251 0.72 PKM (0.57) DEGS1RAB9ANPC1GLAMAPK1

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 16 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-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-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-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-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 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-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
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 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 (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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DEGS1 1086/4885RAB9A 1224/4885NPC1 3826/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DEGS1 1086/4885RAB9A 1224/4885NPC1 3826/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 DEGS1 1029/4885RAB9A 1938/4885NPC1 675/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DEGS1 1086/4885RAB9A 1224/4885NPC1 3826/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 DEGS1 1029/4885RAB9A 1938/4885NPC1 675/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DEGS1 1086/4885RAB9A 1224/4885NPC1 3826/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 DEGS1 1029/4885RAB9A 1938/4885NPC1 675/4885

“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.