SCHEMBL689415

SCHEMBL689415

N#Cc1cccc(OCCSc2nc[nH]n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
RAB9A P51151 6/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 5/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 3/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL688898 0.94 TBXAS1 (0.44) TBXAS1RAB9AHTTL3MBTL1NPC1
SCHEMBL688214 0.93 ALOX15 (0.47) TBXAS1RAB9AHTTL3MBTL1NPC1
SCHEMBL688909 0.80 RAB9A (0.33) RAB9AHTTL3MBTL1NPC1LMNA
SCHEMBL688556 0.78 RAB9A (0.46) RAB9AHTTL3MBTL1NPC1LMNA
SCHEMBL689427 0.75 NPC1 (0.50) TBXAS1RAB9AHTTL3MBTL1NPC1
SCHEMBL13570664 0.75 TBXAS1 (0.50) TBXAS1SMN1; SMN2
SCHEMBL689356 0.72 HTT (0.41) TBXAS1RAB9AHTTL3MBTL1NPC1
SCHEMBL689549 0.72 GRK6 (0.56) RAB9AHTTNPC1LMNASMN1; SMN2
SCHEMBL7388461 0.72 TBXAS1 (0.56) TBXAS1
SCHEMBL20552139 0.71 TBXAS1 (0.55) TBXAS1SMN1; SMN2TDP1MAPK1

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 TBXAS1 383/4885RAB9A 2014/4885HTT 3488/4885

“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.