SCHEMBL6528779

SCHEMBL6528779

CCCCCCCCCCCCCCN1CCN(C(=O)c2cccc(CC(=N)NO)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G2A P14555 8/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 2/20 0.44
PARP1 P09874 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 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
SCHEMBL6488922 0.83 SIGMAR1 (0.55) SIGMAR1MEN1KMT2APOLBLMNA
SCHEMBL6488083 0.81 SIGMAR1 (0.52) SIGMAR1MEN1KMT2APOLBLMNA
SCHEMBL10723980 0.78 SIGMAR1 (0.70) SIGMAR1MEN1KMT2APLA2G2AHRH2
SCHEMBL10722011 0.78 SIGMAR1 (0.70) SIGMAR1MEN1KMT2APLA2G2AHRH2
SCHEMBL10724043 0.78 SIGMAR1 (0.70) SIGMAR1MEN1KMT2APLA2G2AHRH2
SCHEMBL16980657 0.76 SIGMAR1 (0.72) SIGMAR1MEN1KMT2APLA2G2AHRH2
SCHEMBL6478511 0.76 NPC1 (0.50) SIGMAR1MEN1KMT2ALMNAPLA2G2A
SCHEMBL6688415 0.75 CNR2 (0.48) SIGMAR1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6688413 0.75 CNR2 (0.51) SIGMAR1MEN1KMT2APOLBLMNA
SCHEMBL6692750 0.75 CNR2 (0.48) SIGMAR1MEN1KMT2APOLBSMN1; 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 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 SIGMAR1 2516/4885MEN1 1731/4885KMT2A 3741/4885

“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.