SCHEMBL689235

SCHEMBL689235

N#Cc1cccc(OCCCCSc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TBXAS1 P24557 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 1/20 0.34
FFAR1 O14842 1/20 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
SCHEMBL689731 0.97 LMNA (0.44) LMNAHTTMAPTTDP1TBXAS1
SCHEMBL687174 0.83 LMNA (0.45) LMNAHTTMAPTTDP1POLB
SCHEMBL688978 0.82 TBXAS1 (0.46) TBXAS1GRM5FFAR1
SCHEMBL12750149 0.81 TBXAS1 (0.49) LMNAHTTMAPTTDP1TBXAS1
SCHEMBL689120 0.81 TBXAS1 (0.46) TBXAS1POLBMAPK1NPC1RAB9A
SCHEMBL687708 0.80 LMNA (0.45) LMNAHTTMAPTTDP1POLB
SCHEMBL688562 0.79 NPC1 (0.33) LMNAMAPTALOX15TSHRMAPK1
SCHEMBL12750146 0.78 TBXAS1 (0.50) LMNAHTTMAPTTDP1TBXAS1
SCHEMBL688214 0.73 ALOX15 (0.47) LMNAHTTMAPTTDP1TBXAS1
SCHEMBL7388461 0.69 TBXAS1 (0.56) TBXAS1

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.