SCHEMBL717442

SCHEMBL717442

CCOC(=O)CCNC(=O)c1ccc(NC(c2cn(-c3ccc(OC)cc3)nc2CN2CCOCC2)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KDM5B Q9UGL1 2/20 0.40
TSHR P16473 2/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GCG P01275 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GLP1R P43220 1/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL719474 0.92 GCG (0.47) KDM4EHIF1AEPAS1CTSLCTSS
SCHEMBL717731 0.89 HIF1A (0.38) KDM4EHIF1AEPAS1CTSLCTSS
SCHEMBL720461 0.88 GCG (0.42) KDM4EHIF1AEPAS1CTSLCTSS
SCHEMBL718349 0.84 GCG (0.44) CTSLCTSSCTSKGCGGLP1R
SCHEMBL716584 0.82 HIF1A (0.40) KDM4EHIF1AEPAS1CTSLCTSS
SCHEMBL717935 0.82 GCG (0.51) GCGGLP1RGCGRGIPR
SCHEMBL717292 0.81 GCG (0.46) GCGKMT2AMEN1GLP1RGCGR
SCHEMBL718408 0.80 GCG (0.51) GCGGLP1RGCGRGIPR
SCHEMBL720065 0.80 DGAT1 (0.44) GCGKMT2AMEN1GLP1RGCGR
SCHEMBL718348 0.79 GCG (0.48) GCGGLP1RGCGRGIPR

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 KDM4E 1907/4885HIF1A 1023/4885EPAS1 1071/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885HIF1A 1023/4885EPAS1 1071/4885

“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.