SCHEMBL716401

SCHEMBL716401

CCOC(=O)CCN(C)C(=O)c1ccc(NC(COc2ccccc2)c2oc3ccccc3c2C)cc1.Cc1c(C(COc2ccccc2)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LTA4H P09960 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL719600 0.98 MAPT (0.38) GCGMAPTL3MBTL1TDP1MCHR1
SCHEMBL721127 0.94 RAB9A (0.39) GCGMAPTL3MBTL1TDP1MCHR1
SCHEMBL718011 0.84 MAPT (0.42) MAPTL3MBTL1TDP1HTTNPC1
SCHEMBL718376 0.81 GCG (0.39) GCGPKMHTTNPC1RAB9A
SCHEMBL720711 0.81 CA12 (0.49) MAPTL3MBTL1TDP1PKMHTT
SCHEMBL719193 0.81 CASP3 (0.41) MAPTL3MBTL1PKMNPC1RAB9A
SCHEMBL719021 0.80 GCG (0.43) GCGMAPTL3MBTL1TDP1HTT
SCHEMBL719499 0.79 MAPT (0.45) MAPTL3MBTL1NPC1RAB9ACA12
SCHEMBL719322 0.79 KMT2A (0.43) MAPTL3MBTL1TDP1HTTNPC1
SCHEMBL719561 0.79 MAPT (0.41) MAPTL3MBTL1PKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885MAPT 4533/4885L3MBTL1 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.