SCHEMBL6480409

SCHEMBL6480409

CCCCCCCCCCCCCCN1CCN(Cc2ccc(CC#N)cc2)CC1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.60
MCHR1 Q99705 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
APP P05067 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL6479341 0.83 NPC1 (0.51) PLA2G2ANPC1RAB9ATP53HPGD
SCHEMBL6487167 0.78 PLA2G2A (0.55) PLA2G2AMCHR1NPC1RAB9ATP53
SCHEMBL7570754 0.75 PLA2G2A (0.47) PLA2G2ANPC1RAB9ATP53HPGD
SCHEMBL6487420 0.73 KDM4E (0.63) PLA2G2AGAASIGMAR1
SCHEMBL3594477 0.71 LMNA (0.61) NPC1RAB9ATP53HPGDHRH3
SCHEMBL6479419 0.71 PLA2G2A (0.57) PLA2G2ASIGMAR1
SCHEMBL9848807 0.70 PLA2G2A (0.44) PLA2G2AMCHR1NPC1RAB9AHPGD
SCHEMBL11039803 0.69 MCHR1 (0.62) PLA2G2AMCHR1NPC1RAB9AKMT2A
SCHEMBL26032908 0.67 PLA2G2A (0.41) PLA2G2ANPC1RAB9ATP53HPGD
SCHEMBL930649 0.67 MCHR1 (0.56) MCHR1NPC1RAB9ATP53APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II YANG JI CHEMICAL COMPANY LTD. (KR) 2005-04-07 US disclosed
EP-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP disclosed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 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 (1 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-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II AMY2A, PNLIP, IAPP PLA2G2A 35/4885MCHR1 3529/4885NPC1 2640/4885

“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.