SCHEMBL1745498

SCHEMBL1745498

COC(=O)CCc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 2/20 0.61
ALOX5 P09917 5/20 0.60
EPHX2 P34913 5/20 0.60
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL1746753 0.87 SMN1; SMN2 (0.67) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL18256154 0.83 MAPT (0.72) MAPTRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL7544973 0.79 NPC1 (0.77) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL9564275 0.79 NPC1 (0.64) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL8136532 0.79 NPC1 (0.73) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1747331 0.78 VDR (0.49) ALOX5
SCHEMBL9427664 0.78 PDE10A (0.53) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL5256099 0.78 SMN1; SMN2 (0.70) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL8387021 0.78 NPC1 (0.65) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL7544458 0.78 NPC1 (0.79) MAPTNPC1RAB9AKMT2AALDH1A1

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 MAPT 4718/4885NPC1 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.