SCHEMBL721410

SCHEMBL721410

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(C4CC4)cc3c2C)C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
IDH1 O75874 1/20 0.32
MEN1 O00255 1/20 0.32
NAMPT P43490 2/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL718117 0.91 NAMPT (0.34) KMT2ANAMPTTBK1
SCHEMBL717838 0.87 HIF1A (0.37) KMT2A
SCHEMBL718137 0.86 KDM4E (0.36) KMT2AIDH1MEN1
SCHEMBL720836 0.85 PRSS1 (0.37) KMT2AIDH1
SCHEMBL718752 0.85 KMT2A (0.36) KMT2AIDH1MEN1
SCHEMBL721739 0.83 NPC1 (0.40) KMT2AMEN1
SCHEMBL719948 0.82 CASP3 (0.41)
SCHEMBL718232 0.81 KMT2A (0.35) KMT2AIDH1MEN1NAMPT
SCHEMBL719544 0.81 CASP3 (0.40) KMT2AMEN1
SCHEMBL719190 0.81 KMT2A (0.47) KMT2AMEN1

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 1298/4885IDH1 322/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885IDH1 322/4885MEN1 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.