SCHEMBL687708

SCHEMBL687708

NCc1cccc(OCCCSc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL687174 0.97 LMNA (0.45) LMNAHTTL3MBTL1POLBMAPT
SCHEMBL688443 0.83 LOXL2 (0.35) LMNAHTTTSHRKIF11SMN1; SMN2
SCHEMBL689731 0.82 LMNA (0.44) LMNAHTTL3MBTL1POLBMAPT
SCHEMBL689324 0.81 LOXL2 (0.36) LMNAHTTL3MBTL1POLBRAB9A
SCHEMBL12750145 0.80 HTT (0.44) LMNAHTTL3MBTL1POLBMAPT
SCHEMBL12750150 0.77 MAPK1 (0.48) LMNAHTTL3MBTL1POLBMAPT
SCHEMBL12750381 0.70 ALPL (0.51) LMNAHTTMAPTTDP1RAB9A
Hydrochloric Acid SCHEMBL689155 0.69 ALPL (0.50) LMNAHTTMAPTTDP1RAB9A
SCHEMBL689327 0.69 MAOB (0.36) TSHRKIF11NOS1NOS2LOXL2
SCHEMBL8446049 0.69 HPGD (0.38) LMNAHTTL3MBTL1MAPTTDP1

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 LMNA 3074/4885HTT 3488/4885L3MBTL1 4708/4885

“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.