SCHEMBL721580

SCHEMBL721580

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3cccnc3c2C)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 3/20 0.34
NPC1 O15118 1/20 0.33
TEAD4 Q15561 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.32
IDH1 O75874 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 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
SCHEMBL3400480 0.91 RCE1 (0.45) RCE1NAMPTTEAD4HDAC6HPGD
SCHEMBL719968 0.88 NPC1 (0.38) KDM4EMEN1KMT2ANPC1TEAD4
SCHEMBL718281 0.87 MEN1 (0.35) RCE1KDM4EMEN1KMT2ATEAD4
SCHEMBL720388 0.87 MEN1 (0.35) RCE1MEN1KMT2ATEAD4L3MBTL1
SCHEMBL716868 0.86 MEN1 (0.47) RCE1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL719272 0.85 IDH1 (0.33) MEN1KMT2ATEAD4L3MBTL1TSHR
SCHEMBL720175 0.85 MEN1 (0.34) RCE1MEN1KMT2ATEAD4L3MBTL1
SCHEMBL719238 0.84 RCE1 (0.41) RCE1KDM4EMEN1KMT2ANAMPT
SCHEMBL718031 0.83 PTGS2 (0.37) RCE1MEN1KMT2ATP53HDAC6
SCHEMBL718770 0.83 KMT2A (0.35) KDM4EMEN1KMT2ANPC1TEAD4

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 RCE1 2661/4885KDM4E 1907/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885KDM4E 1907/4885MEN1 444/4885

“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.