SCHEMBL1746753

SCHEMBL1746753

O=C(O)CCc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
MAPK1 P28482 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALOX5 P09917 2/20 0.64
EPHX2 P34913 2/20 0.64
KMT2A Q03164 3/20 0.61
FFAR1 O14842 6/20 0.60
AKR1B1 P15121 1/20 0.60
PPARD Q03181 2/20 0.60
FFAR4 Q5NUL3 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 1/20 0.58

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
SCHEMBL1745498 0.87 MAPT (0.61) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL9429685 0.84 NPC1 (0.65) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL8136532 0.82 NPC1 (0.73) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL7607544 0.81 MAPT (0.60) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
Propionic Acid SCHEMBL9428064 0.81 NPC1 (0.68) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL1269672 0.80 SMN1; SMN2 (0.82) SMN1; SMN2RAB9AMAPK1L3MBTL1ALDH1A1
SCHEMBL7608634 0.80 MAPT (0.59) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL8901437 0.79 NPC1 (0.61) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1
SCHEMBL8901453 0.79 NPC1 (0.61) SMN1; SMN2NPC1RAB9AMAPK1L3MBTL1

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-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR SMN1; SMN2 4589/4885NPC1 1470/4885RAB9A 2029/4885

“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.