SCHEMBL722172

SCHEMBL722172

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3cccnc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.41
GCG P01275 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
NQO2 P16083 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SLC2A1 P11166 1/20 0.31
JAK1 P23458 1/20 0.31
IDH1 O75874 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
SCHEMBL719238 0.98 RCE1 (0.41) RCE1KDM4EMEN1KMT2AGAA
SCHEMBL3403776 0.94 RCE1 (0.45) RCE1GCGMEN1KMT2ANAMPT
SCHEMBL721611 0.89 RCE1 (0.37) RCE1GCGKDM4EMEN1KMT2A
SCHEMBL720850 0.88 GCGR (0.36) GCGMEN1KMT2AGAANAMPT
SCHEMBL716928 0.87 NPC1 (0.38) RCE1KDM4ENAMPTL3MBTL1TSHR
SCHEMBL721279 0.86 NAMPT (0.33) RCE1GCGMEN1KMT2ANAMPT
SCHEMBL717719 0.85 TP53 (0.36) MEN1KMT2AGAANAMPTL3MBTL1
SCHEMBL10284811 0.85 RCE1 (0.42) RCE1MEN1KMT2ANAMPTHDAC6
SCHEMBL719072 0.84 MEN1 (0.42) RCE1GCGKDM4EMEN1KMT2A
SCHEMBL3401014 0.84 NAMPT (0.34) RCE1MEN1KMT2AGAANAMPT

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 RCE1 2661/4885GCG 35/4885KDM4E 1907/4885

“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.