SCHEMBL688443

SCHEMBL688443

NCc1cccc(OCCCOc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.35
KCNH2 Q12809 3/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LOX P28300 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
KIF11 P52732 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFD P00746 1/20 0.33
MAOB P27338 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL689324 0.97 LOXL2 (0.36) LOXL2KCNH2NOS1NOS2LOX
SCHEMBL687708 0.83 LMNA (0.45) LOXL2KCNH2NOS1NOS2KIF11
SCHEMBL687174 0.82 LMNA (0.45) LOXL2KCNH2NOS1NOS2KIF11
SCHEMBL688978 0.81 TBXAS1 (0.46) F2PLGPRSS1PRSS2C1S
SCHEMBL687800 0.81 CFD (0.44) PLGKIF11CFDMAOB
SCHEMBL12750286 0.78 ALDH1A1 (0.42) KCNH2NOS1NOS2KDM4EALDH1A1
SCHEMBL689120 0.77 TBXAS1 (0.46) SMN1; SMN2
SCHEMBL12750186 0.74 KDM4E (0.43) KCNH2NOS1NOS2KDM4EALDH1A1
SCHEMBL689311 0.73 MMP13 (0.67)
SCHEMBL689327 0.72 MAOB (0.36) LOXL2NOS1NOS2PLGKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 LOXL2 1011/4885KCNH2 4503/4885NOS1 441/4885

“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.