SCHEMBL689356

SCHEMBL689356

N#Cc1cccc(OCCCSc2n[nH]c(C(F)(F)F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.40
TBXAS1 P24557 1/20 0.39
GRK6 P43250 2/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B1 P15538 1/20 0.36

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) HTTLMNAPOLBL3MBTL1CYP2C19
SCHEMBL12750359 0.82 CYP2C19 (0.43) HTTLMNAPOLBL3MBTL1CYP2C19
SCHEMBL689549 0.81 GRK6 (0.56) HTTLMNAGRK6MAPTTDP1
SCHEMBL688898 0.78 TBXAS1 (0.44) HTTLMNAPOLBL3MBTL1TBXAS1
SCHEMBL688214 0.75 ALOX15 (0.47) HTTLMNAPOLBL3MBTL1TBXAS1
SCHEMBL689415 0.72 TBXAS1 (0.45) HTTLMNAPOLBL3MBTL1TBXAS1
SCHEMBL12750146 0.71 TBXAS1 (0.50) HTTLMNAPOLBL3MBTL1TBXAS1
SCHEMBL689731 0.69 LMNA (0.44) HTTLMNAPOLBL3MBTL1TBXAS1
SCHEMBL7388461 0.69 TBXAS1 (0.56) TBXAS1
SCHEMBL12750149 0.68 TBXAS1 (0.49) HTTLMNAPOLBL3MBTL1TBXAS1

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 10 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
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN 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 HTT 3488/4885LMNA 3074/4885POLB 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.