SCHEMBL1905810

SCHEMBL1905810

CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
LTA4H P09960 8/20 0.56
CXCR6 O00574 3/20 0.55
KCNH2 Q12809 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL12240838 1.00 KMT2A (0.58) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL12222541 1.00 KMT2A (0.58) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL13844751 0.95 CXCR6 (0.51) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL1902462 0.90 CXCR6 (0.53) KMT2AMEN1LTA4HCXCR6L3MBTL1
SCHEMBL12222587 0.90 CXCR6 (0.53) KMT2AMEN1LTA4HCXCR6L3MBTL1
SCHEMBL1906229 0.86 LTA4H (0.61) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL12222773 0.86 LTA4H (0.61) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL23111728 0.86 LTA4H (0.73) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL23111727 0.86 LTA4H (0.73) KMT2AMEN1LTA4HCXCR6KCNH2
SCHEMBL1894015 0.86 LTA4H (0.73) KMT2AMEN1LTA4HCXCR6KCNH2

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-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US claimed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US claimed
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-8367719-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US disclosed
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase Janseen Pharmaceutical NV 2011-10-27 US disclosed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US disclosed
US-7935725-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-03 US disclosed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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 (3 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-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S KMT2A 2154/4885MEN1 3974/4885LTA4H 1/4885
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S KMT2A 2154/4885MEN1 3974/4885LTA4H 1/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S KMT2A 2154/4885MEN1 3974/4885LTA4H 1/4885

“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.