SCHEMBL689549

SCHEMBL689549

N#Cc1cccc(OCCCSc2n[nH]c(-c3ccccc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 6/20 0.56
ALPL P05186 1/20 0.50
HTR7 P34969 1/20 0.47
NPC1 O15118 4/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
DCUN1D1 Q96GG9 1/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL689427 0.84 NPC1 (0.50) GRK6NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL14136085 0.84 GRK6 (0.54) GRK6ALPLHTR7NPC1HPGD
SCHEMBL12750381 0.82 ALPL (0.51) GRK6ALPLHTR7NPC1RECQL
Hydrochloric Acid SCHEMBL689155 0.81 ALPL (0.50) GRK6ALPLHTR7NPC1RECQL
SCHEMBL689356 0.81 HTT (0.41) GRK6NPC1MAPTRAB9ALMNA
SCHEMBL688898 0.78 TBXAS1 (0.44) NPC1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL688214 0.75 ALOX15 (0.47) NPC1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL689415 0.72 TBXAS1 (0.45) NPC1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL12750146 0.71 TBXAS1 (0.50) NPC1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL689731 0.71 LMNA (0.44) NPC1SMN1; SMN2MAPTRAB9ALMNA

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 9 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
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-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US 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
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 GRK6 3965/4885ALPL 567/4885HTR7 2375/4885

“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.