SCHEMBL687174

SCHEMBL687174

NCc1cccc(OCCCCSc2ncn(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 5/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KCNH2 Q12809 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL687708 0.97 LMNA (0.45) LMNAHTTMAPTTDP1L3MBTL1
SCHEMBL689235 0.83 LMNA (0.44) LMNAHTTMAPTTDP1L3MBTL1
SCHEMBL688443 0.82 LOXL2 (0.35) LMNAHTTTSHRKIF11ALDH1A1
SCHEMBL689324 0.81 LOXL2 (0.36) LMNAHTTL3MBTL1POLBALOX15
SCHEMBL12750150 0.81 MAPK1 (0.48) LMNAHTTMAPTTDP1L3MBTL1
SCHEMBL689731 0.80 LMNA (0.44) LMNAHTTMAPTTDP1L3MBTL1
SCHEMBL12750145 0.77 HTT (0.44) LMNAHTTMAPTTDP1L3MBTL1
SCHEMBL12408537 0.69 PRSS1 (0.51) TSHRALDH1A1NOS1NOS2
SCHEMBL689327 0.68 MAOB (0.36) TSHRKIF11NOS1NOS2LOXL2
SCHEMBL8446049 0.68 HPGD (0.38) LMNAHTTMAPTTDP1L3MBTL1

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 3488/4885MAPT 4287/4885

“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.