SCHEMBL718011

SCHEMBL718011

CCOC(=O)CCNC(=O)c1ccc(NC(COc2ccccc2)c2oc3ccccc3c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL719021 0.91 GCG (0.43) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL2669949 0.87 ADRB2 (0.44) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL719600 0.85 MAPT (0.38) MAPTL3MBTL1LMNAHTTTDP1
SCHEMBL716401 0.84 GCG (0.37) MAPTL3MBTL1LMNAHTTTDP1
SCHEMBL720711 0.84 CA12 (0.49) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL719499 0.82 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL721127 0.78 RAB9A (0.39) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL720851 0.78 GCG (0.54) NPC1RAB9A
SCHEMBL3407767 0.77 LMNA (0.45) MAPTSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL718173 0.77 CASP3 (0.43) MAPTSMN1; SMN2L3MBTL1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885SMN1; SMN2 1051/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885SMN1; SMN2 1051/4885L3MBTL1 4088/4885

“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.