SCHEMBL688909

SCHEMBL688909

N#Cc1ccnc(OCCSc2nc[nH]n2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.33
NPC1 O15118 7/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GRM5 P41594 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL689415 0.80 TBXAS1 (0.45) RAB9ANPC1SMN1; SMN2MAPK1HPGD
SCHEMBL689306 0.78 LOXL2 (0.47) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL689076 0.77 LOXL2 (0.46) RAB9ANPC1LMNA
SCHEMBL12750161 0.77 HSD17B10 (0.38) RAB9ANPC1SMN1; SMN2MAPK1HPGD
SCHEMBL688898 0.73 TBXAS1 (0.44) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL688214 0.72 ALOX15 (0.47) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL7920952 0.71 HCRTR1 (0.40) CYP11B1CYP11B2ALDH1A1GRM5
SCHEMBL688562 0.71 NPC1 (0.33) RAB9ANPC1SMN1; SMN2MAPK1HPGD
SCHEMBL7320740 0.70 ACACB (0.47) RAB9ANPC1HPGDMAPTHSD17B10
SCHEMBL17276076 0.70 ACACB (0.47) CYP11B1CYP11B2GRM5ALOX12

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 8 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-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 RAB9A 2014/4885NPC1 3406/4885SMN1; SMN2 3942/4885

“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.