SCHEMBL5376994

SCHEMBL5376994

O=Cc1cn(Cc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 3/20 0.46
ACHE P22303 3/20 0.46
CNR2 P34972 3/20 0.46
GAA P10253 1/20 0.44
DUSP3 P51452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
PLK1 P53350 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
DAPK1 P53355 1/20 0.40

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
SCHEMBL5372207 0.94 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL3084028 0.86 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL5121868 0.84 ADORA3 (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL20187309 0.84 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL30556899 0.83 ADORA3 (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL5407247 0.83 GAA (0.64) SMN1; SMN2LMNAALDH1A1CNR1ACHE
SCHEMBL5407245 0.83 GAA (0.64) SMN1; SMN2LMNAALDH1A1CNR1ACHE
SCHEMBL26119501 0.81 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL716851 0.80 PTGS2 (0.52) SMN1; SMN2RAB9ALMNAALDH1A1PKM
SCHEMBL5377146 0.79 LTB4R (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO 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 (2 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 SMN1; SMN2 3037/4885RAB9A 1995/4885NPC1 933/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885RAB9A 4381/4885NPC1 565/4885

“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.