SCHEMBL688556

SCHEMBL688556

NCc1cccc(OCCSc2nc[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
HTT P42858 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 4/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL689306 0.79 LOXL2 (0.47) RAB9AHTTL3MBTL1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL689076 0.78 LOXL2 (0.46) RAB9ANPC1LMNA
SCHEMBL10289414 0.74 NPC1 (0.55) RAB9AHTTL3MBTL1NPC1SMN1; SMN2
SCHEMBL13570649 0.74 MAOB (0.46) RAB9ANPC1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL689409 0.73 NPC1 (0.54) RAB9AHTTL3MBTL1NPC1SMN1; SMN2
SCHEMBL12750381 0.72 ALPL (0.51) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL12750359 0.72 CYP2C19 (0.43) RAB9AHTTL3MBTL1NPC1SMN1; SMN2
SCHEMBL12408537 0.71 PRSS1 (0.51) NOS1NOS2TSHRALDH1A1
Hydrochloric Acid SCHEMBL689155 0.71 ALPL (0.50) RAB9AHTTNPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL688184 0.71 CYP2C19 (0.42) RAB9AHTTL3MBTL1NPC1SMN1; SMN2

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 RAB9A 2014/4885HTT 3488/4885L3MBTL1 4708/4885

“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.