SCHEMBL13045993

SCHEMBL13045993

CCOC(=O)c1cn(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ccc(I)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BCHE P06276 1/20 0.39
HTR6 P50406 1/20 0.39
SCN9A Q15858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
PTPN1 P18031 1/20 0.38
KAT7 O95251 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37

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
SCHEMBL13045992 1.00 HPGD (0.44) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL1430353 0.95 HPGD (0.47) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL13080498 0.95 HPGD (0.47) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL13047247 0.90 FEN1 (0.47) HPGDFEN1ALDH1A1GAAKDM4E
SCHEMBL2997356 0.90 FEN1 (0.47) HPGDFEN1ALDH1A1GAAKDM4E
SCHEMBL13047240 0.90 FEN1 (0.47) HPGDFEN1ALDH1A1GAAKDM4E
SCHEMBL13048078 0.88 FEN1 (0.42) FEN1ALDH1A1GAABCHEHTR6
SCHEMBL13046958 0.88 FEN1 (0.42) FEN1ALDH1A1GAABCHEHTR6
SCHEMBL13008046 0.87 HPGD (0.49) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL13008004 0.86 HPGD (0.49) HPGDLMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO 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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 HPGD 121/4885LMNA 2498/4885KMT2A 3503/4885

“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.