SCHEMBL718564

SCHEMBL718564

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(N(C)CCOC)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL716671 0.93 MAPT (0.34) KMT2AMAPTTP53LMNANPSR1
SCHEMBL716841 0.89 KDM4E (0.37) KMT2AMEN1MAPTTP53NPC1
SCHEMBL718427 0.88 KMT2A (0.35) KMT2AMEN1TP53NPSR1NPC1
SCHEMBL718770 0.88 KMT2A (0.35) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL716683 0.88 NPC1 (0.43) KMT2AMAPTTP53NPC1RAB9A
SCHEMBL719324 0.87 MAPT (0.36) KMT2AMEN1MAPTTP53LMNA
SCHEMBL716825 0.87 NPC1 (0.41) KMT2AMEN1MAPTTP53NPSR1
SCHEMBL720981 0.87 KMT2A (0.34) KMT2AMEN1MAPTTP53NPSR1
SCHEMBL720867 0.86 KMT2A (0.34) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL719556 0.86 MAPT (0.35) KMT2AMEN1MAPTTP53

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 KMT2A 1298/4885MEN1 444/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885MAPT 4533/4885

“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.