SCHEMBL689731

SCHEMBL689731

N#Cc1cccc(OCCCSc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TBXAS1 P24557 1/20 0.43
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 2/20 0.36
KIF11 P52732 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL689235 0.97 LMNA (0.44) LMNAHTTPOLBL3MBTL1TBXAS1
SCHEMBL688978 0.83 TBXAS1 (0.46) TBXAS1SMN1; SMN2MEN1HRH1CCR3
SCHEMBL687708 0.82 LMNA (0.45) LMNAHTTPOLBL3MBTL1MAPT
SCHEMBL689120 0.82 TBXAS1 (0.46) POLBTBXAS1NPC1RAB9AMAPK1
SCHEMBL12750146 0.81 TBXAS1 (0.50) LMNAHTTPOLBL3MBTL1TBXAS1
SCHEMBL687174 0.80 LMNA (0.45) LMNAHTTPOLBL3MBTL1MAPT
SCHEMBL688562 0.80 NPC1 (0.33) LMNAMAPTNPC1RAB9AHSD17B10
SCHEMBL12750149 0.78 TBXAS1 (0.49) LMNAHTTPOLBL3MBTL1TBXAS1
SCHEMBL688898 0.72 TBXAS1 (0.44) LMNAHTTPOLBL3MBTL1TBXAS1
SCHEMBL689549 0.71 GRK6 (0.56) LMNAHTTMAPTTDP1NPC1

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 3488/4885POLB 3728/4885

“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.