SCHEMBL721279

SCHEMBL721279

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ccncc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2ccncc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.33
GCG P01275 7/20 0.32
RCE1 Q9Y256 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK1 P23458 2/20 0.31
IDH1 O75874 1/20 0.31
JAK2 O60674 1/20 0.31
PDE7A Q13946 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3401014 0.98 NAMPT (0.34) NAMPTRCE1L3MBTL1JAK1IDH1
SCHEMBL3399873 0.94 NAMPT (0.35) NAMPTGCGRCE1PDE7A
SCHEMBL718563 0.92 NAMPT (0.34) NAMPTRCE1L3MBTL1JAK1IDH1
SCHEMBL720850 0.89 GCGR (0.36) NAMPTGCGL3MBTL1TSHRMEN1
SCHEMBL716694 0.88 NAMPT (0.35) NAMPTGCGRCE1PDE7A
SCHEMBL717719 0.86 TP53 (0.36) NAMPTL3MBTL1IDH1TSHRMEN1
SCHEMBL722172 0.86 RCE1 (0.41) NAMPTGCGRCE1L3MBTL1JAK1
SCHEMBL721611 0.85 RCE1 (0.37) NAMPTGCGRCE1L3MBTL1PDE7A
SCHEMBL716869 0.84 MEN1 (0.41) GCGPDE7AMEN1KMT2A
SCHEMBL719238 0.84 RCE1 (0.41) NAMPTRCE1L3MBTL1JAK1IDH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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 (1 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 NAMPT 69/4885GCG 35/4885RCE1 2661/4885

“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.