SCHEMBL720850

SCHEMBL720850

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ccccc3c2C)C2CCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCC2)sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
TP53 P04637 5/20 0.35
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GCG P01275 1/20 0.33
MCHR1 Q99705 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAMPT P43490 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
SCHEMBL717719 0.98 TP53 (0.36) GCGRTP53MAPTRXFP1L3MBTL1
SCHEMBL718454 0.94 GCGR (0.38) GCGRGCGHDAC6NAMPT
SCHEMBL719013 0.93 GCGR (0.37) GCGRGCGHDAC6NAMPT
SCHEMBL721279 0.89 NAMPT (0.33) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL722172 0.88 RCE1 (0.41) MAPTL3MBTL1TSHRLMNAMEN1
SCHEMBL721611 0.87 RCE1 (0.37) MAPTL3MBTL1TSHRMEN1GAA
SCHEMBL717506 0.86 MEN1 (0.36) TP53MAPTRXFP1L3MBTL1TSHR
SCHEMBL718563 0.86 NAMPT (0.34) MAPTL3MBTL1MEN1GAAKMT2A
SCHEMBL3401014 0.86 NAMPT (0.34) MAPTL3MBTL1MEN1GAAKMT2A
SCHEMBL719238 0.85 RCE1 (0.41) MAPTL3MBTL1TSHRLMNAMEN1

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 GCGR 90/4885TP53 293/4885MAPT 4533/4885

“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.