SCHEMBL718266

SCHEMBL718266

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(-c4c(C)noc4C)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.35
BRD2 P25440 6/20 0.33
BRD3 Q15059 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL719206 0.92 BRD4 (0.36) BRD4BRD2BRD3LMNATDP1
SCHEMBL721953 0.88 DGAT1 (0.36) MEN1KMT2A
SCHEMBL718770 0.87 KMT2A (0.35) MEN1KMT2AHPGDHIF1AHSD17B10
SCHEMBL718427 0.87 KMT2A (0.35) MEN1KMT2ACYP1A2HPGDCYP2C19
SCHEMBL718177 0.86 BTK (0.36) MEN1KMT2A
SCHEMBL719324 0.86 MAPT (0.36) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL720981 0.86 KMT2A (0.34) MEN1KMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL716825 0.86 NPC1 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL717472 0.85 BTK (0.40)
SCHEMBL720867 0.85 KMT2A (0.34) MEN1KMT2AHPGDHSD17B10

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 BRD4 195/4885BRD2 713/4885BRD3 642/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP BRD4 195/4885BRD2 713/4885BRD3 642/4885

“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.